1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide

C23H21FN10O2 — CID 166859812

IUPAC1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide
SMILESN#Cc1cccc([C@@H]2CC=NN2C(=O)N2CCN(c3ncc(F)c(-n4cc(C(N)=O)cn4)n3)CC2)c1
InChIInChI=1S/C23H21FN10O2/c24-18-13-27-22(30-21(18)33-14-17(12-29-33)20(26)35)31-6-8-32(9-7-31)23(36)34-19(4-5-28-34)16-3-1-2-15(10-16)11-25/h1-3,5,10,12-14,19H,4,6-9H2,(H2,26,35)/t19-/m0/s1
InChIKeyUUUGDWAEFVEVFL-IBGZPJMESA-N
MW488.49 g/mol
LogP1.45
Rot. Bonds4

About 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide

1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide (PubChem CID 166859812) has the molecular formula C23H21FN10O2 and a molecular weight of 488.49 g/mol. Its IUPAC name is 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide
PubChem CID166859812
Molecular FormulaC23H21FN10O2
Molecular Weight488.49 g/mol
Exact Mass488.18
IUPAC Name1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide
SMILESN#Cc1cccc([C@@H]2CC=NN2C(=O)N2CCN(c3ncc(F)c(-n4cc(C(N)=O)cn4)n3)CC2)c1
InChIInChI=1S/C23H21FN10O2/c24-18-13-27-22(30-21(18)33-14-17(12-29-33)20(26)35)31-6-8-32(9-7-31)23(36)34-19(4-5-28-34)16-3-1-2-15(10-16)11-25/h1-3,5,10,12-14,19H,4,6-9H2,(H2,26,35)/t19-/m0/s1
InChIKeyUUUGDWAEFVEVFL-IBGZPJMESA-N
XLogP1.45
TPSA149.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-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

Related Compounds

1-[5-fluoro-2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperazin-1-yl]pyrimidin-4-yl]pyrazole-4-carboxamide
CID 166859661
1-[2-[4-[(3S)-3-(3-cyano-5-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carbonitrile
CID 167435897
3-[2-[4-[4-(3-chloro-1,2,4-triazol-1-yl)-5-fluoropyrimidin-2-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
CID 175393860
3-fluoro-5-[(3S)-2-[4-[5-fluoro-4-(5-methylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 166859392
3-fluoro-5-[(3S)-2-[4-[5-fluoro-4-(3-isocyanopyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 168824059
N'-[2-[4-[(3S)-3-(3-cyano-5-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]-N-hydrazinylideneethanimidamide
CID 168824081
3-[(3S)-2-[4-[4-(2-ethyl-1,2,4-triazol-3-yl)-5-fluoropyrimidin-2-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
CID 166859408
[4-[5-fluoro-4-(5-iodo-2H-triazol-4-yl)pyrimidin-2-yl]piperazin-1-yl]-[(3S)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 168862204
3-[(3S)-2-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
CID 166859176
6-[4-[3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 146237528
3-fluoro-5-[(3S)-2-[4-[5-fluoro-4-[5-(fluoromethyl)-2-methyl-1,2,4-triazol-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 163486155
1-[2-[4-[(3S)-3-(3-cyano-5-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 166859303

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide (CID 166859812) is 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide is N#Cc1cccc([C@@H]2CC=NN2C(=O)N2CCN(c3ncc(F)c(-n4cc(C(N)=O)cn4)n3)CC2)c1.
What is the InChIKey of 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is UUUGDWAEFVEVFL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21FN10O2/c24-18-13-27-22(30-21(18)33-14-17(12-29-33)20(26)35)31-6-8-32(9-7-31)23(36)34-19(4-5-28-34)16-3-1-2-15(10-16)11-25/h1-3,5,10,12-14,19H,4,6-9H2,(H2,26,35)/t19-/m0/s1.
What are the key properties of 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide?
1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 166859812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).