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2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide

C26H21N9O — CID 137041485

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3n2)c1
InChIInChI=1S/C26H21N9O/c1-14(2)26(36)30-17-10-16(12-28-13-17)19-5-6-20-22(31-19)23(35-34-20)25-32-21-18(7-9-29-24(21)33-25)15-4-3-8-27-11-15/h3-14H,1-2H3,(H,30,36)(H,34,35)(H,29,32,33)
InChIKeyVEKAKTCHSBGVGP-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.61
Rot. Bonds5

About 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide

2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137041485) has the molecular formula C26H21N9O and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID137041485
Molecular FormulaC26H21N9O
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3n2)c1
InChIInChI=1S/C26H21N9O/c1-14(2)26(36)30-17-10-16(12-28-13-17)19-5-6-20-22(31-19)23(35-34-20)25-32-21-18(7-9-29-24(21)33-25)15-4-3-8-27-11-15/h3-14H,1-2H3,(H,30,36)(H,34,35)(H,29,32,33)
InChIKeyVEKAKTCHSBGVGP-UHFFFAOYSA-N
XLogP4.61
TPSA138.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137041485) is 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3n2)c1.
What is the InChIKey of 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is VEKAKTCHSBGVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N9O/c1-14(2)26(36)30-17-10-16(12-28-13-17)19-5-6-20-22(31-19)23(35-34-20)25-32-21-18(7-9-29-24(21)33-25)15-4-3-8-27-11-15/h3-14H,1-2H3,(H,30,36)(H,34,35)(H,29,32,33).
What are the key properties of 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?
2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 475.52 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137041485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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