6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide

C33H29N9O — CID 11606572

About 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide

6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide (PubChem CID 11606572) has the molecular formula C33H29N9O and a molecular weight of 567.66 g/mol. Its IUPAC name is 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide
• PubChem CID: 11606572
• Molecular Formula: C33H29N9O
• Molecular Weight: 567.66 g/mol
• Exact Mass: 567.25
• IUPAC Name: 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide
• SMILES: NC(=O)c1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2n1
• InChI: InChI=1S/C33H29N9O/c34-29(43)33-36-19-25-18-26(22-6-2-1-3-7-22)28(37-30(25)38-33)23-11-9-21(10-12-23)20-42-16-13-24(14-17-42)31-39-32(41-40-31)27-8-4-5-15-35-27/h1-12,15,18-19,24H,13-14,16-17,20H2,(H2,34,43)(H,39,40,41)
• InChIKey: MKCRPVFQAIQPQA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 139.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.66
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide?

The IUPAC name of 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide (CID 11606572) is 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide?

The canonical SMILES for 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide is NC(=O)c1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2n1.

What is the InChIKey of 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide?

The InChIKey is MKCRPVFQAIQPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N9O/c34-29(43)33-36-19-25-18-26(22-6-2-1-3-7-22)28(37-30(25)38-33)23-11-9-21(10-12-23)20-42-16-13-24(14-17-42)31-39-32(41-40-31)27-8-4-5-15-35-27/h1-12,15,18-19,24H,13-14,16-17,20H2,(H2,34,43)(H,39,40,41).

What are the key properties of 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide?

6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 567.66 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 11606572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).