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

C24H25F2N9O2 — CID 166859191

IUPAC1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-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]4c4cc(F)cc(F)c4)CC3)ncn2)c(C)c1C(N)=O
InChIInChI=1S/C24H25F2N9O2/c1-14-22(23(27)36)15(2)34(31-14)21-12-20(28-13-29-21)32-5-7-33(8-6-32)24(37)35-19(3-4-30-35)16-9-17(25)11-18(26)10-16/h4,9-13,19H,3,5-8H2,1-2H3,(H2,27,36)/t19-/m0/s1
InChIKeyHQFRWBUQWXXKRO-IBGZPJMESA-N
MW509.52 g/mol
LogP2.33
Rot. Bonds4

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

1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 166859191) has the molecular formula C24H25F2N9O2 and a molecular weight of 509.52 g/mol. Its IUPAC name is 1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID166859191
Molecular FormulaC24H25F2N9O2
Molecular Weight509.52 g/mol
Exact Mass509.21
IUPAC Name1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-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]4c4cc(F)cc(F)c4)CC3)ncn2)c(C)c1C(N)=O
InChIInChI=1S/C24H25F2N9O2/c1-14-22(23(27)36)15(2)34(31-14)21-12-20(28-13-29-21)32-5-7-33(8-6-32)24(37)35-19(3-4-30-35)16-9-17(25)11-18(26)10-16/h4,9-13,19H,3,5-8H2,1-2H3,(H2,27,36)/t19-/m0/s1
InChIKeyHQFRWBUQWXXKRO-IBGZPJMESA-N
XLogP2.33
TPSA125.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (CID 166859191) is 1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-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]4c4cc(F)cc(F)c4)CC3)ncn2)c(C)c1C(N)=O.
What is the InChIKey of 1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is HQFRWBUQWXXKRO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25F2N9O2/c1-14-22(23(27)36)15(2)34(31-14)21-12-20(28-13-29-21)32-5-7-33(8-6-32)24(37)35-19(3-4-30-35)16-9-17(25)11-18(26)10-16/h4,9-13,19H,3,5-8H2,1-2H3,(H2,27,36)/t19-/m0/s1.
What are the key properties of 1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 509.52 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 166859191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).