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

C27H22N8O — CID 135985991

IUPAC2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C27H22N8O/c1-15(2)27(36)31-19-8-18(11-29-12-19)16-5-6-22-20(9-16)25(35-34-22)26-32-23-14-30-13-21(24(23)33-26)17-4-3-7-28-10-17/h3-15H,1-2H3,(H,31,36)(H,32,33)(H,34,35)
InChIKeyHULMMJVTYCFFQZ-UHFFFAOYSA-N
MW474.53 g/mol
LogP5.22
Rot. Bonds5

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

2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 135985991) has the molecular formula C27H22N8O and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
PubChem CID135985991
Molecular FormulaC27H22N8O
Molecular Weight474.53 g/mol
Exact Mass474.19
IUPAC Name2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C27H22N8O/c1-15(2)27(36)31-19-8-18(11-29-12-19)16-5-6-22-20(9-16)25(35-34-22)26-32-23-14-30-13-21(24(23)33-26)17-4-3-7-28-10-17/h3-15H,1-2H3,(H,31,36)(H,32,33)(H,34,35)
InChIKeyHULMMJVTYCFFQZ-UHFFFAOYSA-N
XLogP5.22
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.53
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 135985991) is 2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide is CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The InChIKey is HULMMJVTYCFFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O/c1-15(2)27(36)31-19-8-18(11-29-12-19)16-5-6-22-20(9-16)25(35-34-22)26-32-23-14-30-13-21(24(23)33-26)17-4-3-7-28-10-17/h3-15H,1-2H3,(H,31,36)(H,32,33)(H,34,35).
What are the key properties of 2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 474.53 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 135985991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).