1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H25F3N8O — CID 155155022

IUPAC1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1nn(CCCc2ccccn2)c2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C24H25F3N8O/c25-24(26,27)8-11-30-23(36)20-18-14-34(22-17-6-10-29-21(17)31-15-32-22)13-7-19(18)35(33-20)12-3-5-16-4-1-2-9-28-16/h1-2,4,6,9-10,15H,3,5,7-8,11-14H2,(H,30,36)(H,29,31,32)
InChIKeyHASUCAYDOWGGGU-UHFFFAOYSA-N
MW498.51 g/mol
LogP3.43
Rot. Bonds8

About 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155155022) has the molecular formula C24H25F3N8O and a molecular weight of 498.51 g/mol. Its IUPAC name is 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID155155022
Molecular FormulaC24H25F3N8O
Molecular Weight498.51 g/mol
Exact Mass498.21
IUPAC Name1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1nn(CCCc2ccccn2)c2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C24H25F3N8O/c25-24(26,27)8-11-30-23(36)20-18-14-34(22-17-6-10-29-21(17)31-15-32-22)13-7-19(18)35(33-20)12-3-5-16-4-1-2-9-28-16/h1-2,4,6,9-10,15H,3,5,7-8,11-14H2,(H,30,36)(H,29,31,32)
InChIKeyHASUCAYDOWGGGU-UHFFFAOYSA-N
XLogP3.43
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 155155022) is 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCCC(F)(F)F)c1nn(CCCc2ccccn2)c2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is HASUCAYDOWGGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N8O/c25-24(26,27)8-11-30-23(36)20-18-14-34(22-17-6-10-29-21(17)31-15-32-22)13-7-19(18)35(33-20)12-3-5-16-4-1-2-9-28-16/h1-2,4,6,9-10,15H,3,5,7-8,11-14H2,(H,30,36)(H,29,31,32).
What are the key properties of 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155155022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).