N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide

C29H26ClN11O — CID 121258642

About N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide

N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide (PubChem CID 121258642) has the molecular formula C29H26ClN11O and a molecular weight of 580.06 g/mol. Its IUPAC name is N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide
• PubChem CID: 121258642
• Molecular Formula: C29H26ClN11O
• Molecular Weight: 580.06 g/mol
• Exact Mass: 579.20
• IUPAC Name: N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide
• SMILES: CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cccc(Cl)c7)cncc6n5N)c4c3)c2)CC1
• InChI: InChI=1S/C29H26ClN11O/c1-39-5-7-40(8-6-39)29(42)35-21-10-18(12-32-14-21)19-11-22-26(37-38-27(22)34-13-19)28-36-25-23(15-33-16-24(25)41(28)31)17-3-2-4-20(30)9-17/h2-4,9-16H,5-8,31H2,1H3,(H,35,42)(H,34,37,38)
• InChIKey: ADAHJIQEGWQDMF-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 146.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.06
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide?

The IUPAC name of N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide (CID 121258642) is N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide.

What is the SMILES notation for N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide?

The canonical SMILES for N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cccc(Cl)c7)cncc6n5N)c4c3)c2)CC1.

What is the InChIKey of N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide?

The InChIKey is ADAHJIQEGWQDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN11O/c1-39-5-7-40(8-6-39)29(42)35-21-10-18(12-32-14-21)19-11-22-26(37-38-27(22)34-13-19)28-36-25-23(15-33-16-24(25)41(28)31)17-3-2-4-20(30)9-17/h2-4,9-16H,5-8,31H2,1H3,(H,35,42)(H,34,37,38).

What are the key properties of N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide?

N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 580.06 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[3-amino-7-(3-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 121258642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).