1-(2-pyridin-3-ylethyl)-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

C23H23F3N8O — CID 155155062

IUPAC1-(2-pyridin-3-ylethyl)-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(CCc2cccnc2)c2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C23H23F3N8O/c24-23(25,26)6-9-29-22(35)19-17-13-33(21-16-3-8-28-20(16)30-14-31-21)10-5-18(17)34(32-19)11-4-15-2-1-7-27-12-15/h1-3,7-8,12,14H,4-6,9-11,13H2,(H,29,35)(H,28,30,31)
InChIKeyMCTJRIIJHPVGQR-UHFFFAOYSA-N
MW484.49 g/mol
LogP3.04
Rot. Bonds7

About 1-(2-pyridin-3-ylethyl)-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-(2-pyridin-3-ylethyl)-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 155155062) has the molecular formula C23H23F3N8O and a molecular weight of 484.49 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylethyl)-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-(2-pyridin-3-ylethyl)-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 CID155155062
Molecular FormulaC23H23F3N8O
Molecular Weight484.49 g/mol
Exact Mass484.19
IUPAC Name1-(2-pyridin-3-ylethyl)-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(CCc2cccnc2)c2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C23H23F3N8O/c24-23(25,26)6-9-29-22(35)19-17-13-33(21-16-3-8-28-20(16)30-14-31-21)10-5-18(17)34(32-19)11-4-15-2-1-7-27-12-15/h1-3,7-8,12,14H,4-6,9-11,13H2,(H,29,35)(H,28,30,31)
InChIKeyMCTJRIIJHPVGQR-UHFFFAOYSA-N
XLogP3.04
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-pyridin-3-ylethyl)-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-(2-pyridin-3-ylethyl)-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-(2-pyridin-3-ylethyl)-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 155155062) is 1-(2-pyridin-3-ylethyl)-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-(2-pyridin-3-ylethyl)-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-(2-pyridin-3-ylethyl)-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(CCc2cccnc2)c2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of 1-(2-pyridin-3-ylethyl)-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 MCTJRIIJHPVGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O/c24-23(25,26)6-9-29-22(35)19-17-13-33(21-16-3-8-28-20(16)30-14-31-21)10-5-18(17)34(32-19)11-4-15-2-1-7-27-12-15/h1-3,7-8,12,14H,4-6,9-11,13H2,(H,29,35)(H,28,30,31).
What are the key properties of 1-(2-pyridin-3-ylethyl)-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-(2-pyridin-3-ylethyl)-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 484.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylethyl)-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 155155062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).