[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

C18H22FN5O — CID 138000851

IUPAC[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1cc(C)nc(-n2cc(C(=O)N3CCC=C(F)C3)c(C(C)C)n2)n1
InChIInChI=1S/C18H22FN5O/c1-11(2)16-15(17(25)23-7-5-6-14(19)9-23)10-24(22-16)18-20-12(3)8-13(4)21-18/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyBWLMUZHIASOHLO-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.10
Rot. Bonds3

About [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 138000851) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID138000851
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1cc(C)nc(-n2cc(C(=O)N3CCC=C(F)C3)c(C(C)C)n2)n1
InChIInChI=1S/C18H22FN5O/c1-11(2)16-15(17(25)23-7-5-6-14(19)9-23)10-24(22-16)18-20-12(3)8-13(4)21-18/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyBWLMUZHIASOHLO-UHFFFAOYSA-N
XLogP3.10
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

5-Cyclopropyl-7-(difluoromethyl)-3-[(4-methyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2980648
US11186582, Example 435
CID 118479732
N-{2-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]ethyl}-N-ethyl-2-(1H-pyrazol-1-yl)pyridine-3-carboxamide
CID 132209835
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 42356311
(1-Tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 45830602
(1-Methyl-5-propylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53514187
(4-Methylpyrimidin-5-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53561207
(1-Methyl-5-propylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 56817102
(1-Tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 56817103
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-ethyl-2-methylpyrimidin-5-yl)methanone
CID 72132735
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
CID 72134563
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
CID 72142745

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 138000851) is [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1cc(C)nc(-n2cc(C(=O)N3CCC=C(F)C3)c(C(C)C)n2)n1.
What is the InChIKey of [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is BWLMUZHIASOHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-11(2)16-15(17(25)23-7-5-6-14(19)9-23)10-24(22-16)18-20-12(3)8-13(4)21-18/h6,8,10-11H,5,7,9H2,1-4H3.
What are the key properties of [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 343.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 138000851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).