N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C25H35FN8O — CID 170352292

About N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170352292) has the molecular formula C25H35FN8O and a molecular weight of 482.61 g/mol. Its IUPAC name is N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• PubChem CID: 170352292
• Molecular Formula: C25H35FN8O
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.29
• IUPAC Name: N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• SMILES: CCc1cc(-n2nc(N3CC[C@](C)(N(C)CC)C3)c3cnc(NC(C)=O)cc32)nc(C(C)(C)F)n1
• InChI: InChI=1S/C25H35FN8O/c1-8-17-12-21(30-23(29-17)24(4,5)26)34-19-13-20(28-16(3)35)27-14-18(19)22(31-34)33-11-10-25(6,15-33)32(7)9-2/h12-14H,8-11,15H2,1-7H3,(H,27,28,35)/t25-/m0/s1
• InChIKey: XXYCGZPNMXELGO-VWLOTQADSA-N
• XLogP: 3.86
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The IUPAC name of N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170352292) is N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

What is the SMILES notation for N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The canonical SMILES for N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CCc1cc(-n2nc(N3CC[C@](C)(N(C)CC)C3)c3cnc(NC(C)=O)cc32)nc(C(C)(C)F)n1.

What is the InChIKey of N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The InChIKey is XXYCGZPNMXELGO-VWLOTQADSA-N. The full InChI is InChI=1S/C25H35FN8O/c1-8-17-12-21(30-23(29-17)24(4,5)26)34-19-13-20(28-16(3)35)27-14-18(19)22(31-34)33-11-10-25(6,15-33)32(7)9-2/h12-14H,8-11,15H2,1-7H3,(H,27,28,35)/t25-/m0/s1.

What are the key properties of N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?

N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 482.61 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170352292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).