2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide

C22H19N7O — CID 137110717

IUPAC2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C22H19N7O/c1-12(2)22(30)26-15-5-13(9-24-10-15)18-7-16-20(11-25-18)28-29-21(16)19-6-14-8-23-4-3-17(14)27-19/h3-12,27H,1-2H3,(H,26,30)(H,28,29)
InChIKeyFQATVSYXOCRLAH-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.16
Rot. Bonds4

About 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide

2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137110717) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID137110717
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C22H19N7O/c1-12(2)22(30)26-15-5-13(9-24-10-15)18-7-16-20(11-25-18)28-29-21(16)19-6-14-8-23-4-3-17(14)27-19/h3-12,27H,1-2H3,(H,26,30)(H,28,29)
InChIKeyFQATVSYXOCRLAH-UHFFFAOYSA-N
XLogP4.16
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137110717) is 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is CC(C)C(=O)Nc1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is FQATVSYXOCRLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-12(2)22(30)26-15-5-13(9-24-10-15)18-7-16-20(11-25-18)28-29-21(16)19-6-14-8-23-4-3-17(14)27-19/h3-12,27H,1-2H3,(H,26,30)(H,28,29).
What are the key properties of 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?
2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 397.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137110717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).