N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride

C32H27ClN8O2 — CID 44529103

About N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride

N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride (PubChem CID 44529103) has the molecular formula C32H27ClN8O2 and a molecular weight of 591.08 g/mol. Its IUPAC name is N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride
• PubChem CID: 44529103
• Molecular Formula: C32H27ClN8O2
• Molecular Weight: 591.08 g/mol
• Exact Mass: 590.19
• IUPAC Name: N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride
• SMILES: Cl.NCC(=O)Nc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5ccccc5)c4)nn4ccccc34)n2)c1
• InChI: InChI=1S/C32H26N8O2.ClH/c33-20-28(41)35-24-12-7-13-25(19-24)37-32-34-16-15-26(38-32)29-27-14-4-5-17-40(27)39-30(29)22-10-6-11-23(18-22)36-31(42)21-8-2-1-3-9-21;/h1-19H,20,33H2,(H,35,41)(H,36,42)(H,34,37,38);1H
• InChIKey: GKRLBCSUXUTEEV-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 139.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.08
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride?

The IUPAC name of N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride (CID 44529103) is N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride.

What is the SMILES notation for N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride?

The canonical SMILES for N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride is Cl.NCC(=O)Nc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5ccccc5)c4)nn4ccccc34)n2)c1.

What is the InChIKey of N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride?

The InChIKey is GKRLBCSUXUTEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N8O2.ClH/c33-20-28(41)35-24-12-7-13-25(19-24)37-32-34-16-15-26(38-32)29-27-14-4-5-17-40(27)39-30(29)22-10-6-11-23(18-22)36-31(42)21-8-2-1-3-9-21;/h1-19H,20,33H2,(H,35,41)(H,36,42)(H,34,37,38);1H.

What are the key properties of N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride?

N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride has a molecular weight of 591.08 g/mol, XLogP of 5.77, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 44529103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).