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

C27H21N7O2S — CID 137039278

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

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137039278) has the molecular formula C27H21N7O2S and a molecular weight of 507.58 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137039278
• Molecular Formula: C27H21N7O2S
• Molecular Weight: 507.58 g/mol
• Exact Mass: 507.15
• IUPAC Name: N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C(C)=O)s6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C27H21N7O2S/c1-3-24(36)30-16-10-15(12-28-13-16)18-4-5-20-26(32-18)27(34-33-20)21-11-17-19(31-21)8-9-29-25(17)23-7-6-22(37-23)14(2)35/h4-13,31H,3H2,1-2H3,(H,30,36)(H,33,34)
• InChIKey: PFDNCDRGELSOHA-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.58
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137039278) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C(C)=O)s6)nccc5[nH]4)c3n2)c1.

What is the InChIKey of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The InChIKey is PFDNCDRGELSOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O2S/c1-3-24(36)30-16-10-15(12-28-13-16)18-4-5-20-26(32-18)27(34-33-20)21-11-17-19(31-21)8-9-29-25(17)23-7-6-22(37-23)14(2)35/h4-13,31H,3H2,1-2H3,(H,30,36)(H,33,34).

What are the key properties of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide?

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 507.58 g/mol, XLogP of 5.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137039278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).