[7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone

C25H27FN6O — CID 122663357

IUPAC[7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4ccn[nH]4)cc3F)nn12
InChIInChI=1S/C25H27FN6O/c1-3-18-14-23(25(33)31-12-6-4-5-7-16(31)2)28-24-15-22(30-32(18)24)19-9-8-17(13-20(19)26)21-10-11-27-29-21/h8-11,13-16H,3-7,12H2,1-2H3,(H,27,29)
InChIKeyRWNMKFONCRLAMS-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.89
Rot. Bonds4

About [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone

[7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone (PubChem CID 122663357) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
PubChem CID122663357
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name[7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4ccn[nH]4)cc3F)nn12
InChIInChI=1S/C25H27FN6O/c1-3-18-14-23(25(33)31-12-6-4-5-7-16(31)2)28-24-15-22(30-32(18)24)19-9-8-17(13-20(19)26)21-10-11-27-29-21/h8-11,13-16H,3-7,12H2,1-2H3,(H,27,29)
InChIKeyRWNMKFONCRLAMS-UHFFFAOYSA-N
XLogP4.89
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone with MolForge

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Related Compounds

5-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyridine-2-carboxylic acid
CID 139400782
6-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-fluoropyridine-3-carboxylic acid
CID 134431094
N-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropanecarboxamide
CID 122663455
methyl 6-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyridine-3-carboxylate
CID 154599752
[7-ethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 145178705
ethyl 2-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1,3-thiazole-5-carboxylate
CID 134430931
(1S)-3-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-2,2-difluorocyclopropane-1-carboxylic acid
CID 134431270
2-hydroxyethyl N-[4-[7-ethyl-5-(2-methylazepane-1-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]carbamate
CID 122663501
1-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-methylpyrazole-4-carboxylic acid
CID 134431328
ethyl 4-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclohexane-1-carboxylate
CID 122663330
ethyl (1S)-2-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-2,3,3-trimethylcyclopropane-1-carboxylate
CID 166805195
ethyl (3S)-1-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]piperidine-3-carboxylate
CID 134430902

Frequently Asked Questions

What is the IUPAC name of [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?
The IUPAC name of [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone (CID 122663357) is [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone.
What is the SMILES notation for [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?
The canonical SMILES for [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone is CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4ccn[nH]4)cc3F)nn12.
What is the InChIKey of [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?
The InChIKey is RWNMKFONCRLAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-3-18-14-23(25(33)31-12-6-4-5-7-16(31)2)28-24-15-22(30-32(18)24)19-9-8-17(13-20(19)26)21-10-11-27-29-21/h8-11,13-16H,3-7,12H2,1-2H3,(H,27,29).
What are the key properties of [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?
[7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone has a molecular weight of 446.53 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 122663357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).