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

C27H23N7OS — CID 136643054

IUPAC3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C27H23N7OS/c1-15(2)8-24(35)30-18-9-17(11-28-12-18)16-5-6-21-19(10-16)26(34-33-21)27-31-22-14-29-13-20(25(22)32-27)23-4-3-7-36-23/h3-7,9-15H,8H2,1-2H3,(H,30,35)(H,31,32)(H,33,34)
InChIKeyACPPFOWZUFBTAU-UHFFFAOYSA-N
MW493.60 g/mol
LogP6.28
Rot. Bonds6

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

3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (PubChem CID 136643054) has the molecular formula C27H23N7OS and a molecular weight of 493.60 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
PubChem CID136643054
Molecular FormulaC27H23N7OS
Molecular Weight493.60 g/mol
Exact Mass493.17
IUPAC Name3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C27H23N7OS/c1-15(2)8-24(35)30-18-9-17(11-28-12-18)16-5-6-21-19(10-16)26(34-33-21)27-31-22-14-29-13-20(25(22)32-27)23-4-3-7-36-23/h3-7,9-15H,8H2,1-2H3,(H,30,35)(H,31,32)(H,33,34)
InChIKeyACPPFOWZUFBTAU-UHFFFAOYSA-N
XLogP6.28
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (CID 136643054) is 3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
The InChIKey is ACPPFOWZUFBTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7OS/c1-15(2)8-24(35)30-18-9-17(11-28-12-18)16-5-6-21-19(10-16)26(34-33-21)27-31-22-14-29-13-20(25(22)32-27)23-4-3-7-36-23/h3-7,9-15H,8H2,1-2H3,(H,30,35)(H,31,32)(H,33,34).
What are the key properties of 3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide has a molecular weight of 493.60 g/mol, XLogP of 6.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 136643054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).