1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide

C97H91N39O8 — CID 158388207

IUPAC1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide
SMILESCCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)NC)cncc5[nH]4)c3c2)cn1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)c1.CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6c(C(=O)N7CCCC7)cncc6[nH]5)c4c3)c2)CC1.CNC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)NC)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H29N11O2.C25H24N10O2.C23H20N8O2.C21H18N10O2/c1-37-6-8-39(9-7-37)28(41)32-19-10-17(12-29-14-19)18-11-20-24(35-36-25(20)31-13-18)26-33-22-16-30-15-21(23(22)34-26)27(40)38-4-2-3-5-38;1-34(2)25(37)29-16-7-14(9-26-11-16)15-8-17-21(32-33-22(17)28-10-15)23-30-19-13-27-12-18(20(19)31-23)24(36)35-5-3-4-6-35;1-3-15(32)7-14-5-4-12(8-26-14)13-6-16-20(30-31-21(16)27-9-13)22-28-18-11-25-10-17(19(18)29-22)23(33)24-2;1-22-20(32)14-8-25-9-15-16(14)29-19(28-15)17-13-4-11(6-26-18(13)31-30-17)10-3-12(7-24-5-10)27-21(33)23-2/h10-16H,2-9H2,1H3,(H,32,41)(H,33,34)(H,31,35,36);7-13H,3-6H2,1-2H3,(H,29,37)(H,30,31)(H,28,32,33);4-6,8-11H,3,7H2,1-2H3,(H,24,33)(H,28,29)(H,27,30,31);3-9H,1-2H3,(H,22,32)(H,28,29)(H2,23,27,33)(H,26,30,31)
InChIKeyGWPSVECFOCLKBG-UHFFFAOYSA-N
MW1931.06 g/mol
LogP11.17
Rot. Bonds18

About 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide

1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide (PubChem CID 158388207) has the molecular formula C97H91N39O8 and a molecular weight of 1931.06 g/mol. Its IUPAC name is 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide
PubChem CID158388207
Molecular FormulaC97H91N39O8
Molecular Weight1931.06 g/mol
Exact Mass1929.79
IUPAC Name1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide
SMILESCCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)NC)cncc5[nH]4)c3c2)cn1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)c1.CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6c(C(=O)N7CCCC7)cncc6[nH]5)c4c3)c2)CC1.CNC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)NC)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H29N11O2.C25H24N10O2.C23H20N8O2.C21H18N10O2/c1-37-6-8-39(9-7-37)28(41)32-19-10-17(12-29-14-19)18-11-20-24(35-36-25(20)31-13-18)26-33-22-16-30-15-21(23(22)34-26)27(40)38-4-2-3-5-38;1-34(2)25(37)29-16-7-14(9-26-11-16)15-8-17-21(32-33-22(17)28-10-15)23-30-19-13-27-12-18(20(19)31-23)24(36)35-5-3-4-6-35;1-3-15(32)7-14-5-4-12(8-26-14)13-6-16-20(30-31-21(16)27-9-13)22-28-18-11-25-10-17(19(18)29-22)23(33)24-2;1-22-20(32)14-8-25-9-15-16(14)29-19(28-15)17-13-4-11(6-26-18(13)31-30-17)10-3-12(7-24-5-10)27-21(33)23-2/h10-16H,2-9H2,1H3,(H,32,41)(H,33,34)(H,31,35,36);7-13H,3-6H2,1-2H3,(H,29,37)(H,30,31)(H,28,32,33);4-6,8-11H,3,7H2,1-2H3,(H,24,33)(H,28,29)(H,27,30,31);3-9H,1-2H3,(H,22,32)(H,28,29)(H2,23,27,33)(H,26,30,31)
InChIKeyGWPSVECFOCLKBG-UHFFFAOYSA-N
XLogP11.17
TPSA609.06 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001931.06
LogP ≤ 511.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Analyze 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide with MolForge

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Related Compounds

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CID 59729307
PROTAC CDK2/9 Degrader-1
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1-(4-benzoylpiperazin-1-yl)-2-[7-(triazolo[4,5-b]pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
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CID 90683934
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CID 90683944
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CID 137033859

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide (CID 158388207) is 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide is CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)NC)cncc5[nH]4)c3c2)cn1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)c1.CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6c(C(=O)N7CCCC7)cncc6[nH]5)c4c3)c2)CC1.CNC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)NC)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide?
The InChIKey is GWPSVECFOCLKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N11O2.C25H24N10O2.C23H20N8O2.C21H18N10O2/c1-37-6-8-39(9-7-37)28(41)32-19-10-17(12-29-14-19)18-11-20-24(35-36-25(20)31-13-18)26-33-22-16-30-15-21(23(22)34-26)27(40)38-4-2-3-5-38;1-34(2)25(37)29-16-7-14(9-26-11-16)15-8-17-21(32-33-22(17)28-10-15)23-30-19-13-27-12-18(20(19)31-23)24(36)35-5-3-4-6-35;1-3-15(32)7-14-5-4-12(8-26-14)13-6-16-20(30-31-21(16)27-9-13)22-28-18-11-25-10-17(19(18)29-22)23(33)24-2;1-22-20(32)14-8-25-9-15-16(14)29-19(28-15)17-13-4-11(6-26-18(13)31-30-17)10-3-12(7-24-5-10)27-21(33)23-2/h10-16H,2-9H2,1H3,(H,32,41)(H,33,34)(H,31,35,36);7-13H,3-6H2,1-2H3,(H,29,37)(H,30,31)(H,28,32,33);4-6,8-11H,3,7H2,1-2H3,(H,24,33)(H,28,29)(H,27,30,31);3-9H,1-2H3,(H,22,32)(H,28,29)(H2,23,27,33)(H,26,30,31).
What are the key properties of 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide?
1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide has a molecular weight of 1931.06 g/mol, XLogP of 11.17, 18 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;N-methyl-2-[5-[5-(methylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;N-methyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;4-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 158388207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).