Skip to content

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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[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
SMILESCc1nn(-c2cc(N3CCN(C(=O)N4N=CC[C@H]4C4C=NC=C(F)C4)CC3)ncn2)c(C)c1C(N)=O
InChIInChI=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
InChIKeyWVZGDHJZUTYNEZ-DAFXYXGESA-N
MW494.54 g/mol
LogP1.58
Rot. Bonds4

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 Name1-[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 CID166859721
Molecular FormulaC23H27FN10O2
Molecular Weight494.54 g/mol
Exact Mass494.23
IUPAC Name1-[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
SMILESCc1nn(-c2cc(N3CCN(C(=O)N4N=CC[C@H]4C4C=NC=C(F)C4)CC3)ncn2)c(C)c1C(N)=O
InChIInChI=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
InChIKeyWVZGDHJZUTYNEZ-DAFXYXGESA-N
XLogP1.58
TPSA138.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.