1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide

C23H27FN10O2 — CID 166859721

About 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide

1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 166859721) has the molecular formula C23H27FN10O2 and a molecular weight of 494.54 g/mol. Its IUPAC name is 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
• PubChem CID: 166859721
• Molecular Formula: C23H27FN10O2
• Molecular Weight: 494.54 g/mol
• Exact Mass: 494.23
• IUPAC Name: 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
• SMILES: Cc1nn(-c2cc(N3CCN(C(=O)N4N=CC[C@H]4C4C=NC=C(F)C4)CC3)ncn2)c(C)c1C(N)=O
• InChI: InChI=1S/C23H27FN10O2/c1-14-21(22(25)35)15(2)33(30-14)20-10-19(27-13-28-20)31-5-7-32(8-6-31)23(36)34-18(3-4-29-34)16-9-17(24)12-26-11-16/h4,10-13,16,18H,3,5-9H2,1-2H3,(H2,25,35)/t16?,18-/m0/s1
• InChIKey: WVZGDHJZUTYNEZ-DAFXYXGESA-N
• XLogP: 1.58
• TPSA: 138.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?

The IUPAC name of 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (CID 166859721) is 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide.

What is the SMILES notation for 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?

The canonical SMILES for 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2cc(N3CCN(C(=O)N4N=CC[C@H]4C4C=NC=C(F)C4)CC3)ncn2)c(C)c1C(N)=O.

What is the InChIKey of 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?

The InChIKey is WVZGDHJZUTYNEZ-DAFXYXGESA-N. The full InChI is InChI=1S/C23H27FN10O2/c1-14-21(22(25)35)15(2)33(30-14)20-10-19(27-13-28-20)31-5-7-32(8-6-31)23(36)34-18(3-4-29-34)16-9-17(24)12-26-11-16/h4,10-13,16,18H,3,5-9H2,1-2H3,(H2,25,35)/t16?,18-/m0/s1.

What are the key properties of 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?

1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 166859721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).