1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

C99H76F2N36 — CID 159647330

IUPAC1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cccnc7)cncc6[nH]5)c4c3)c2)C1.Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.c1cncc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)c1.c1cncc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)c1
InChIInChI=1S/C29H27N9.C27H21F2N9.C22H15N9.C21H13N9/c1-2-5-18(4-1)10-31-11-19-8-21(14-32-12-19)22-9-23-27(37-38-28(23)34-15-22)29-35-25-17-33-16-24(26(25)36-29)20-6-3-7-30-13-20;28-27(29)3-5-38(15-27)14-16-6-18(10-31-8-16)19-7-20-24(36-37-25(20)33-11-19)26-34-22-13-32-12-21(23(22)35-26)17-2-1-4-30-9-17;23-15-4-13(7-25-9-15)14-5-16-20(30-31-21(16)27-8-14)22-28-18-11-26-10-17(19(18)29-22)12-2-1-3-24-6-12;1-2-12(5-22-3-1)16-9-23-10-17-18(16)28-21(27-17)19-15-4-13(8-26-20(15)30-29-19)14-6-24-11-25-7-14/h3,6-9,12-18,31H,1-2,4-5,10-11H2,(H,35,36)(H,34,37,38);1-2,4,6-13H,3,5,14-15H2,(H,34,35)(H,33,36,37);1-11H,23H2,(H,28,29)(H,27,30,31);1-11H,(H,27,28)(H,26,29,30)
InChIKeyMRCURJBKCJDAJA-UHFFFAOYSA-N
MW1807.94 g/mol
LogP17.18
Rot. Bonds18

About 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 159647330) has the molecular formula C99H76F2N36 and a molecular weight of 1807.94 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID159647330
Molecular FormulaC99H76F2N36
Molecular Weight1807.94 g/mol
Exact Mass1806.70
IUPAC Name1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cccnc7)cncc6[nH]5)c4c3)c2)C1.Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.c1cncc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)c1.c1cncc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)c1
InChIInChI=1S/C29H27N9.C27H21F2N9.C22H15N9.C21H13N9/c1-2-5-18(4-1)10-31-11-19-8-21(14-32-12-19)22-9-23-27(37-38-28(23)34-15-22)29-35-25-17-33-16-24(26(25)36-29)20-6-3-7-30-13-20;28-27(29)3-5-38(15-27)14-16-6-18(10-31-8-16)19-7-20-24(36-37-25(20)33-11-19)26-34-22-13-32-12-21(23(22)35-26)17-2-1-4-30-9-17;23-15-4-13(7-25-9-15)14-5-16-20(30-31-21(16)27-8-14)22-28-18-11-26-10-17(19(18)29-22)12-2-1-3-24-6-12;1-2-12(5-22-3-1)16-9-23-10-17-18(16)28-21(27-17)19-15-4-13(8-26-20(15)30-29-19)14-6-24-11-25-7-14/h3,6-9,12-18,31H,1-2,4-5,10-11H2,(H,35,36)(H,34,37,38);1-2,4,6-13H,3,5,14-15H2,(H,34,35)(H,33,36,37);1-11H,23H2,(H,28,29)(H,27,30,31);1-11H,(H,27,28)(H,26,29,30)
InChIKeyMRCURJBKCJDAJA-UHFFFAOYSA-N
XLogP17.18
TPSA489.86 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001807.94
LogP ≤ 517.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301
7-[2,6-difluoro-4-[(1S,4S)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837401
7-[4-[(1S,4S)-5-cyclobutyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837402
5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71254348
N-((5-(3-(5-fluoro-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497849
Ipivivint
CID 136213660
[(1S,5R)-3-[10-[6-(1H-imidazol-2-yl)-3-pyridinyl]-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 136259916
7-Benzyl-4-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1H-imidazo[4,5-d]pyridazine
CID 44186526

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (CID 159647330) is 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cccnc7)cncc6[nH]5)c4c3)c2)C1.Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.c1cncc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)c1.c1cncc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)c1.
What is the InChIKey of 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is MRCURJBKCJDAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N9.C27H21F2N9.C22H15N9.C21H13N9/c1-2-5-18(4-1)10-31-11-19-8-21(14-32-12-19)22-9-23-27(37-38-28(23)34-15-22)29-35-25-17-33-16-24(26(25)36-29)20-6-3-7-30-13-20;28-27(29)3-5-38(15-27)14-16-6-18(10-31-8-16)19-7-20-24(36-37-25(20)33-11-19)26-34-22-13-32-12-21(23(22)35-26)17-2-1-4-30-9-17;23-15-4-13(7-25-9-15)14-5-16-20(30-31-21(16)27-8-14)22-28-18-11-26-10-17(19(18)29-22)12-2-1-3-24-6-12;1-2-12(5-22-3-1)16-9-23-10-17-18(16)28-21(27-17)19-15-4-13(8-26-20(15)30-29-19)14-6-24-11-25-7-14/h3,6-9,12-18,31H,1-2,4-5,10-11H2,(H,35,36)(H,34,37,38);1-2,4,6-13H,3,5,14-15H2,(H,34,35)(H,33,36,37);1-11H,23H2,(H,28,29)(H,27,30,31);1-11H,(H,27,28)(H,26,29,30).
What are the key properties of 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1807.94 g/mol, XLogP of 17.18, 18 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 159647330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).