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

C23H25FN10O2 — CID 166859242

IUPAC1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccnc(N3CCN(C(=O)N4N=CCC4c4cncc(F)c4)CC3)n2)c(C)c1C(N)=O
InChIInChI=1S/C23H25FN10O2/c1-14-20(21(25)35)15(2)33(30-14)19-4-5-27-22(29-19)31-7-9-32(10-8-31)23(36)34-18(3-6-28-34)16-11-17(24)13-26-12-16/h4-6,11-13,18H,3,7-10H2,1-2H3,(H2,25,35)
InChIKeyIVYGPARZJZNHKF-UHFFFAOYSA-N
MW492.52 g/mol
LogP1.59
Rot. Bonds4

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

1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 166859242) has the molecular formula C23H25FN10O2 and a molecular weight of 492.52 g/mol. Its IUPAC name is 1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID166859242
Molecular FormulaC23H25FN10O2
Molecular Weight492.52 g/mol
Exact Mass492.21
IUPAC Name1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccnc(N3CCN(C(=O)N4N=CCC4c4cncc(F)c4)CC3)n2)c(C)c1C(N)=O
InChIInChI=1S/C23H25FN10O2/c1-14-20(21(25)35)15(2)33(30-14)19-4-5-27-22(29-19)31-7-9-32(10-8-31)23(36)34-18(3-6-28-34)16-11-17(24)13-26-12-16/h4-6,11-13,18H,3,7-10H2,1-2H3,(H2,25,35)
InChIKeyIVYGPARZJZNHKF-UHFFFAOYSA-N
XLogP1.59
TPSA138.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide with MolForge

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Related Compounds

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6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
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US10774086, Example 12
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (CID 166859242) is 1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccnc(N3CCN(C(=O)N4N=CCC4c4cncc(F)c4)CC3)n2)c(C)c1C(N)=O.
What is the InChIKey of 1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is IVYGPARZJZNHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN10O2/c1-14-20(21(25)35)15(2)33(30-14)19-4-5-27-22(29-19)31-7-9-32(10-8-31)23(36)34-18(3-6-28-34)16-11-17(24)13-26-12-16/h4-6,11-13,18H,3,7-10H2,1-2H3,(H2,25,35).
What are the key properties of 1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 492.52 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 166859242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).