[4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone

C22H23ClFN9O — CID 166859757

IUPAC[4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1nn(-c2cc(N3CCN(C(=O)N4N=CCC4c4cncc(F)c4)CC3)ncn2)c(C)c1Cl
InChIInChI=1S/C22H23ClFN9O/c1-14-21(23)15(2)32(29-14)20-10-19(26-13-27-20)30-5-7-31(8-6-30)22(34)33-18(3-4-28-33)16-9-17(24)12-25-11-16/h4,9-13,18H,3,5-8H2,1-2H3
InChIKeyAKODIDTYLMQHMG-UHFFFAOYSA-N
MW483.94 g/mol
LogP3.14
Rot. Bonds3

About [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone

[4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 166859757) has the molecular formula C22H23ClFN9O and a molecular weight of 483.94 g/mol. Its IUPAC name is [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID166859757
Molecular FormulaC22H23ClFN9O
Molecular Weight483.94 g/mol
Exact Mass483.17
IUPAC Name[4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1nn(-c2cc(N3CCN(C(=O)N4N=CCC4c4cncc(F)c4)CC3)ncn2)c(C)c1Cl
InChIInChI=1S/C22H23ClFN9O/c1-14-21(23)15(2)32(29-14)20-10-19(26-13-27-20)30-5-7-31(8-6-30)22(34)33-18(3-4-28-33)16-9-17(24)12-25-11-16/h4,9-13,18H,3,5-8H2,1-2H3
InChIKeyAKODIDTYLMQHMG-UHFFFAOYSA-N
XLogP3.14
TPSA95.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.94
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone with MolForge

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Related Compounds

3-[(3S)-2-[4-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
CID 166859193
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 163681279
[4-[5-fluoro-4-[5-(hydroxymethyl)-2-methyl-1,2,4-triazol-3-yl]pyrimidin-2-yl]piperazin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
CID 167435840
6-[(3R,4S)-3-fluoro-4-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 151970083
[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone
CID 150331013
6-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 166861204
[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone
CID 146237518
N-[1-[2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 168824023
N-[1-[2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 166859153
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-fluoro-4-pyridinyl]piperazin-1-yl]methanone
CID 166859306
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 166747316
azetidin-1-yl-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 162385835

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone (CID 166859757) is [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone is Cc1nn(-c2cc(N3CCN(C(=O)N4N=CCC4c4cncc(F)c4)CC3)ncn2)c(C)c1Cl.
What is the InChIKey of [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is AKODIDTYLMQHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN9O/c1-14-21(23)15(2)32(29-14)20-10-19(26-13-27-20)30-5-7-31(8-6-30)22(34)33-18(3-4-28-33)16-9-17(24)12-25-11-16/h4,9-13,18H,3,5-8H2,1-2H3.
What are the key properties of [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
[4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 483.94 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 166859757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).