5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide

C24H19F4N7O — CID 146597342

IUPAC5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide
SMILESCCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C(=O)NC)c3)c(-n3ccc(C(F)(F)F)n3)c12
InChIInChI=1S/C24H19F4N7O/c1-3-31-17-8-14(25)7-15-19-21(35-5-4-18(34-35)24(26,27)28)16(11-32-22(19)33-20(15)17)12-6-13(10-30-9-12)23(36)29-2/h4-11,31H,3H2,1-2H3,(H,29,36)(H,32,33)
InChIKeyZOOPNXYXVPGLPH-UHFFFAOYSA-N
MW497.46 g/mol
LogP4.91
Rot. Bonds5

About 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide

5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide (PubChem CID 146597342) has the molecular formula C24H19F4N7O and a molecular weight of 497.46 g/mol. Its IUPAC name is 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide
PubChem CID146597342
Molecular FormulaC24H19F4N7O
Molecular Weight497.46 g/mol
Exact Mass497.16
IUPAC Name5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide
SMILESCCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C(=O)NC)c3)c(-n3ccc(C(F)(F)F)n3)c12
InChIInChI=1S/C24H19F4N7O/c1-3-31-17-8-14(25)7-15-19-21(35-5-4-18(34-35)24(26,27)28)16(11-32-22(19)33-20(15)17)12-6-13(10-30-9-12)23(36)29-2/h4-11,31H,3H2,1-2H3,(H,29,36)(H,32,33)
InChIKeyZOOPNXYXVPGLPH-UHFFFAOYSA-N
XLogP4.91
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.46
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide (CID 146597342) is 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide is CCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C(=O)NC)c3)c(-n3ccc(C(F)(F)F)n3)c12.
What is the InChIKey of 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is ZOOPNXYXVPGLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N7O/c1-3-31-17-8-14(25)7-15-19-21(35-5-4-18(34-35)24(26,27)28)16(11-32-22(19)33-20(15)17)12-6-13(10-30-9-12)23(36)29-2/h4-11,31H,3H2,1-2H3,(H,29,36)(H,32,33).
What are the key properties of 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide?
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 497.46 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 146597342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).