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

C31H29N9O — CID 140940075

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

2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 140940075) has the molecular formula C31H29N9O and a molecular weight of 543.64 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 140940075
• Molecular Formula: C31H29N9O
• Molecular Weight: 543.64 g/mol
• Exact Mass: 543.25
• IUPAC Name: 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(CNCC1CCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C31H29N9O/c41-28(18-33-13-19-3-1-2-4-19)36-23-11-22(14-34-15-23)21-5-6-26-24(12-21)30(40-39-26)31-37-27-17-35-16-25(29(27)38-31)20-7-9-32-10-8-20/h5-12,14-17,19,33H,1-4,13,18H2,(H,36,41)(H,37,38)(H,39,40)
• InChIKey: VDDJFHSTEYIVQM-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 137.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.64
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 140940075) is 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide is O=C(CNCC1CCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The InChIKey is VDDJFHSTEYIVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N9O/c41-28(18-33-13-19-3-1-2-4-19)36-23-11-22(14-34-15-23)21-5-6-26-24(12-21)30(40-39-26)31-37-27-17-35-16-25(29(27)38-31)20-7-9-32-10-8-20/h5-12,14-17,19,33H,1-4,13,18H2,(H,36,41)(H,37,38)(H,39,40).

What are the key properties of 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 543.64 g/mol, XLogP of 5.34, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopentylmethylamino)-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 140940075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).