2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone

C24H29FN6O2 — CID 69094139

IUPAC2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1cnc(Nc2cnn(CC(=O)N3CCCCC3)c2)nc1-c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C24H29FN6O2/c1-16(2)33-21-8-7-18(11-20(21)25)23-17(3)12-26-24(29-23)28-19-13-27-31(14-19)15-22(32)30-9-5-4-6-10-30/h7-8,11-14,16H,4-6,9-10,15H2,1-3H3,(H,26,28,29)
InChIKeyGMLXCRHEIXHKOL-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.33
Rot. Bonds7

About 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone

2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 69094139) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID69094139
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC Name2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1cnc(Nc2cnn(CC(=O)N3CCCCC3)c2)nc1-c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C24H29FN6O2/c1-16(2)33-21-8-7-18(11-20(21)25)23-17(3)12-26-24(29-23)28-19-13-27-31(14-19)15-22(32)30-9-5-4-6-10-30/h7-8,11-14,16H,4-6,9-10,15H2,1-3H3,(H,26,28,29)
InChIKeyGMLXCRHEIXHKOL-UHFFFAOYSA-N
XLogP4.33
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
2-[5-(4-methoxyphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134143802
4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539410
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
US9765058, Example 2-2-10
CID 86580572
2-[[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]amino]-N,N-dimethylacetamide
CID 57392888
2-[[3-(6-methoxy-3-pyridinyl)-6-oxo-5-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimido[5,4-c]pyridazin-8-yl]amino]-N,N-dimethylacetamide
CID 57394623
N-[3-[4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetamide
CID 9803699
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
1-{4-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidino}-2-(dimethylamino)-1-ethanone
CID 22347329
3-[3-Fluoro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 68962036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone (CID 69094139) is 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone is Cc1cnc(Nc2cnn(CC(=O)N3CCCCC3)c2)nc1-c1ccc(OC(C)C)c(F)c1.
What is the InChIKey of 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is GMLXCRHEIXHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2/c1-16(2)33-21-8-7-18(11-20(21)25)23-17(3)12-26-24(29-23)28-19-13-27-31(14-19)15-22(32)30-9-5-4-6-10-30/h7-8,11-14,16H,4-6,9-10,15H2,1-3H3,(H,26,28,29).
What are the key properties of 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone?
2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 452.53 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 69094139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).