5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine

C33H45N5O2 — CID 174173477

About 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine

5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine (PubChem CID 174173477) has the molecular formula C33H45N5O2 and a molecular weight of 543.76 g/mol. Its IUPAC name is 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine
• PubChem CID: 174173477
• Molecular Formula: C33H45N5O2
• Molecular Weight: 543.76 g/mol
• Exact Mass: 543.36
• IUPAC Name: 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine
• SMILES: COc1ccc(CN2CC=CN(c3cnn4ccc(CC5CCN(CC6CCCCC6)CC5)cc34)C2)c(OC)c1
• InChI: InChI=1S/C33H45N5O2/c1-39-30-10-9-29(33(21-30)40-2)24-36-14-6-15-37(25-36)32-22-34-38-18-13-28(20-31(32)38)19-26-11-16-35(17-12-26)23-27-7-4-3-5-8-27/h6,9-10,13,15,18,20-22,26-27H,3-5,7-8,11-12,14,16-17,19,23-25H2,1-2H3
• InChIKey: VCNMVQFJJZHBOD-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 45.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.76
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine?

The IUPAC name of 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine (CID 174173477) is 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine.

What is the SMILES notation for 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine?

The canonical SMILES for 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine is COc1ccc(CN2CC=CN(c3cnn4ccc(CC5CCN(CC6CCCCC6)CC5)cc34)C2)c(OC)c1.

What is the InChIKey of 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine?

The InChIKey is VCNMVQFJJZHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5O2/c1-39-30-10-9-29(33(21-30)40-2)24-36-14-6-15-37(25-36)32-22-34-38-18-13-28(20-31(32)38)19-26-11-16-35(17-12-26)23-27-7-4-3-5-8-27/h6,9-10,13,15,18,20-22,26-27H,3-5,7-8,11-12,14,16-17,19,23-25H2,1-2H3.

What are the key properties of 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine?

5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 543.76 g/mol, XLogP of 5.98, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-3-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dihydropyrimidin-1-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 174173477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).