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

C23H25FN10O2 — CID 166859194

IUPAC1-[6-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-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]4c4cncc(F)c4)CC3)ncn2)c(C)c1C(N)=O
InChIInChI=1S/C23H25FN10O2/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/h4,9-13,18H,3,5-8H2,1-2H3,(H2,25,35)/t18-/m0/s1
InChIKeyBLPHNZRXLRBEHH-SFHVURJKSA-N
MW492.52 g/mol
LogP1.59
Rot. Bonds4

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

1-[6-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 166859194) has the molecular formula C23H25FN10O2 and a molecular weight of 492.52 g/mol. Its IUPAC name is 1-[6-[4-[(3S)-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-[6-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID166859194
Molecular FormulaC23H25FN10O2
Molecular Weight492.52 g/mol
Exact Mass492.21
IUPAC Name1-[6-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-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]4c4cncc(F)c4)CC3)ncn2)c(C)c1C(N)=O
InChIInChI=1S/C23H25FN10O2/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/h4,9-13,18H,3,5-8H2,1-2H3,(H2,25,35)/t18-/m0/s1
InChIKeyBLPHNZRXLRBEHH-SFHVURJKSA-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-[6-[4-[(3S)-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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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(3S)-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-[6-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (CID 166859194) is 1-[6-[4-[(3S)-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-[6-[4-[(3S)-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-[6-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-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]4c4cncc(F)c4)CC3)ncn2)c(C)c1C(N)=O.
What is the InChIKey of 1-[6-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is BLPHNZRXLRBEHH-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25FN10O2/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/h4,9-13,18H,3,5-8H2,1-2H3,(H2,25,35)/t18-/m0/s1.
What are the key properties of 1-[6-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
1-[6-[4-[(3S)-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-[6-[4-[(3S)-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 166859194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).