6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide

C27H34N8O3 — CID 118611204

About 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide

6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide (PubChem CID 118611204) has the molecular formula C27H34N8O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
• PubChem CID: 118611204
• Molecular Formula: C27H34N8O3
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.28
• IUPAC Name: 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
• SMILES: CC(=O)N1CCC(Nc2cc(C(=O)NCC(O)CN3CCc4[nH]nc(-c5ccccc5)c4C3)ncn2)CC1
• InChI: InChI=1S/C27H34N8O3/c1-18(36)35-11-7-20(8-12-35)31-25-13-24(29-17-30-25)27(38)28-14-21(37)15-34-10-9-23-22(16-34)26(33-32-23)19-5-3-2-4-6-19/h2-6,13,17,20-21,37H,7-12,14-16H2,1H3,(H,28,38)(H,32,33)(H,29,30,31)
• InChIKey: KUCFISQMIUQZOP-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 139.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?

The IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide (CID 118611204) is 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide is CC(=O)N1CCC(Nc2cc(C(=O)NCC(O)CN3CCc4[nH]nc(-c5ccccc5)c4C3)ncn2)CC1.

What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?

The InChIKey is KUCFISQMIUQZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O3/c1-18(36)35-11-7-20(8-12-35)31-25-13-24(29-17-30-25)27(38)28-14-21(37)15-34-10-9-23-22(16-34)26(33-32-23)19-5-3-2-4-6-19/h2-6,13,17,20-21,37H,7-12,14-16H2,1H3,(H,28,38)(H,32,33)(H,29,30,31).

What are the key properties of 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?

6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 1.44, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 118611204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).