1-(pyridin-4-ylmethyl)-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

C22H21F3N8O — CID 155155132

IUPAC1-(pyridin-4-ylmethyl)-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(Cc2ccncc2)c2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C22H21F3N8O/c23-22(24,25)5-9-28-21(34)18-16-12-32(20-15-3-8-27-19(15)29-13-30-20)10-4-17(16)33(31-18)11-14-1-6-26-7-2-14/h1-3,6-8,13H,4-5,9-12H2,(H,28,34)(H,27,29,30)
InChIKeyPBJCFQYDJCFENV-UHFFFAOYSA-N
MW470.46 g/mol
LogP2.84
Rot. Bonds6

About 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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 155155132) has the molecular formula C22H21F3N8O and a molecular weight of 470.46 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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 CID155155132
Molecular FormulaC22H21F3N8O
Molecular Weight470.46 g/mol
Exact Mass470.18
IUPAC Name1-(pyridin-4-ylmethyl)-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(Cc2ccncc2)c2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C22H21F3N8O/c23-22(24,25)5-9-28-21(34)18-16-12-32(20-15-3-8-27-19(15)29-13-30-20)10-4-17(16)33(31-18)11-14-1-6-26-7-2-14/h1-3,6-8,13H,4-5,9-12H2,(H,28,34)(H,27,29,30)
InChIKeyPBJCFQYDJCFENV-UHFFFAOYSA-N
XLogP2.84
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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 155155132) is 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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(Cc2ccncc2)c2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-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 PBJCFQYDJCFENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N8O/c23-22(24,25)5-9-28-21(34)18-16-12-32(20-15-3-8-27-19(15)29-13-30-20)10-4-17(16)33(31-18)11-14-1-6-26-7-2-14/h1-3,6-8,13H,4-5,9-12H2,(H,28,34)(H,27,29,30).
What are the key properties of 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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 470.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-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 155155132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).