N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C23H29N7O3 — CID 166871796

About N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 166871796) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 166871796
• Molecular Formula: C23H29N7O3
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.23
• IUPAC Name: N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
• SMILES: Cc1noc(C)c1-c1ncc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCC(C)CC2)cn1
• InChI: InChI=1S/C23H29N7O3/c1-13-5-7-16(8-6-13)20(28-22(31)18-9-10-26-30(18)4)23(32)27-17-11-24-21(25-12-17)19-14(2)29-33-15(19)3/h9-13,16,20H,5-8H2,1-4H3,(H,27,32)(H,28,31)/t13?,16?,20-/m0/s1
• InChIKey: WWNGSZGEIFPADZ-SKMDKRRUSA-N
• XLogP: 3.05
• TPSA: 127.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The IUPAC name of N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 166871796) is N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1noc(C)c1-c1ncc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCC(C)CC2)cn1.

What is the InChIKey of N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The InChIKey is WWNGSZGEIFPADZ-SKMDKRRUSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-13-5-7-16(8-6-13)20(28-22(31)18-9-10-26-30(18)4)23(32)27-17-11-24-21(25-12-17)19-14(2)29-33-15(19)3/h9-13,16,20H,5-8H2,1-4H3,(H,27,32)(H,28,31)/t13?,16?,20-/m0/s1.

What are the key properties of N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166871796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).