5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H15N7O2 — CID 71624487

IUPAC5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccc(Cc2cc(=O)n3[nH]cc(C(=O)Nc4c[nH]c5ncccc45)c3n2)cc1
InChIInChI=1S/C22H15N7O2/c23-10-14-5-3-13(4-6-14)8-15-9-19(30)29-21(27-15)17(11-26-29)22(31)28-18-12-25-20-16(18)2-1-7-24-20/h1-7,9,11-12,26H,8H2,(H,24,25)(H,28,31)
InChIKeySLOPAQZOFGEXBY-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.61
Rot. Bonds4

About 5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71624487) has the molecular formula C22H15N7O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71624487
Molecular FormulaC22H15N7O2
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccc(Cc2cc(=O)n3[nH]cc(C(=O)Nc4c[nH]c5ncccc45)c3n2)cc1
InChIInChI=1S/C22H15N7O2/c23-10-14-5-3-13(4-6-14)8-15-9-19(30)29-21(27-15)17(11-26-29)22(31)28-18-12-25-20-16(18)2-1-7-24-20/h1-7,9,11-12,26H,8H2,(H,24,25)(H,28,31)
InChIKeySLOPAQZOFGEXBY-UHFFFAOYSA-N
XLogP2.61
TPSA131.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71624487) is 5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1ccc(Cc2cc(=O)n3[nH]cc(C(=O)Nc4c[nH]c5ncccc45)c3n2)cc1.
What is the InChIKey of 5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SLOPAQZOFGEXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7O2/c23-10-14-5-3-13(4-6-14)8-15-9-19(30)29-21(27-15)17(11-26-29)22(31)28-18-12-25-20-16(18)2-1-7-24-20/h1-7,9,11-12,26H,8H2,(H,24,25)(H,28,31).
What are the key properties of 5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71624487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).