7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine

C34H41N13O2 — CID 123611205

IUPAC7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCCc1cc(-c2n[nH]c3ccnc(NC4CCOC(c5cnc(NC(C)C)c6c(-c7nccc(N8CCOCC8)n7)[nH]nc56)C4)c23)nn1C
InChIInChI=1S/C34H41N13O2/c1-5-21-17-24(45-46(21)4)30-27-23(41-43-30)6-9-35-32(27)39-20-8-13-49-25(16-20)22-18-37-33(38-19(2)3)28-29(22)42-44-31(28)34-36-10-7-26(40-34)47-11-14-48-15-12-47/h6-7,9-10,17-20,25H,5,8,11-16H2,1-4H3,(H,35,39)(H,37,38)(H,41,43)(H,42,44)
InChIKeyUANQRICJWGMUSP-UHFFFAOYSA-N
MW663.79 g/mol
LogP4.64
Rot. Bonds9

About 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine

7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 123611205) has the molecular formula C34H41N13O2 and a molecular weight of 663.79 g/mol. Its IUPAC name is 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID123611205
Molecular FormulaC34H41N13O2
Molecular Weight663.79 g/mol
Exact Mass663.35
IUPAC Name7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCCc1cc(-c2n[nH]c3ccnc(NC4CCOC(c5cnc(NC(C)C)c6c(-c7nccc(N8CCOCC8)n7)[nH]nc56)C4)c23)nn1C
InChIInChI=1S/C34H41N13O2/c1-5-21-17-24(45-46(21)4)30-27-23(41-43-30)6-9-35-32(27)39-20-8-13-49-25(16-20)22-18-37-33(38-19(2)3)28-29(22)42-44-31(28)34-36-10-7-26(40-34)47-11-14-48-15-12-47/h6-7,9-10,17-20,25H,5,8,11-16H2,1-4H3,(H,35,39)(H,37,38)(H,41,43)(H,42,44)
InChIKeyUANQRICJWGMUSP-UHFFFAOYSA-N
XLogP4.64
TPSA172.50 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.79
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760083
WO2022090481, Example I-022
CID 163273430
2-(5-Fluoropyridin-2-YL)-6,6-dimethyl-3-(1H-pyrazolo[3,4-B]pyridin-4-YL)-6,7-dihydro-4H-pyrazolo[5,1-C][1,4]oxazine
CID 162760632
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
5-(oxolan-2-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 122196349
N-(1H-indol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028337
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
CID 162649821
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
CID 162673286
4-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]morpholine
CID 135497790
(1S,4S)-5-[4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 68069661
(1R,5S)-8-[4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 68069676
US10640495, Example I-97
CID 135226259

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine (CID 123611205) is 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine is CCc1cc(-c2n[nH]c3ccnc(NC4CCOC(c5cnc(NC(C)C)c6c(-c7nccc(N8CCOCC8)n7)[nH]nc56)C4)c23)nn1C.
What is the InChIKey of 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is UANQRICJWGMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N13O2/c1-5-21-17-24(45-46(21)4)30-27-23(41-43-30)6-9-35-32(27)39-20-8-13-49-25(16-20)22-18-37-33(38-19(2)3)28-29(22)42-44-31(28)34-36-10-7-26(40-34)47-11-14-48-15-12-47/h6-7,9-10,17-20,25H,5,8,11-16H2,1-4H3,(H,35,39)(H,37,38)(H,41,43)(H,42,44).
What are the key properties of 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine?
7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 663.79 g/mol, XLogP of 4.64, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 123611205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).