3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide

C28H27FN4O2 — CID 55866237

IUPAC3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C28H27FN4O2/c1-33(14-4-7-23-17-25(32-31-23)18-10-12-22(29)13-11-18)28(35)24-15-20-5-2-3-6-21(20)16-26(24)30-27(34)19-8-9-19/h2-3,5-6,10-13,15-17,19H,4,7-9,14H2,1H3,(H,30,34)(H,31,32)
InChIKeyBUWCLZJYBCBIRB-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.42
Rot. Bonds8

About 3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 55866237) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide
PubChem CID55866237
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C28H27FN4O2/c1-33(14-4-7-23-17-25(32-31-23)18-10-12-22(29)13-11-18)28(35)24-15-20-5-2-3-6-21(20)16-26(24)30-27(34)19-8-9-19/h2-3,5-6,10-13,15-17,19H,4,7-9,14H2,1H3,(H,30,34)(H,31,32)
InChIKeyBUWCLZJYBCBIRB-UHFFFAOYSA-N
XLogP5.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2'S,3R)-2'-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486136
5-(3-aminopropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443798
N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 50997019
(2'S,3R)-2'-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-ethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486282
6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide
CID 90644664
6-(3-amino-1H-indazol-4-yl)-N-(3-fluoro-4-methylphenyl)naphthalene-1-carboxamide
CID 90644667
3-Methyl-2,5-dihydro-1,2,5-triaza-cyclopenta[a]anthracen-4-one
CID 135988232
5-(3-amino-2,2-difluoropropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443800
(S)-5-(3-amino-2-fluoropropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443802
(R)-5-(3-amino-2-fluoropropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443803
3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 155516692
4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 155524432

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide (CID 55866237) is 3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is BUWCLZJYBCBIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c1-33(14-4-7-23-17-25(32-31-23)18-10-12-22(29)13-11-18)28(35)24-15-20-5-2-3-6-21(20)16-26(24)30-27(34)19-8-9-19/h2-3,5-6,10-13,15-17,19H,4,7-9,14H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 55866237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).