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

C23H17F4N7O — CID 146646636

IUPAC5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carboxamide
SMILESCCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C(N)=O)c3)c(-n3ccc(C(F)(F)F)n3)c12
InChIInChI=1S/C23H17F4N7O/c1-2-30-16-7-13(24)6-14-18-20(34-4-3-17(33-34)23(25,26)27)15(10-31-22(18)32-19(14)16)11-5-12(21(28)35)9-29-8-11/h3-10,30H,2H2,1H3,(H2,28,35)(H,31,32)
InChIKeyIKMFNGITBSFZFV-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.65
Rot. Bonds5

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

5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carboxamide (PubChem CID 146646636) has the molecular formula C23H17F4N7O and a molecular weight of 483.43 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]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carboxamide
PubChem CID146646636
Molecular FormulaC23H17F4N7O
Molecular Weight483.43 g/mol
Exact Mass483.14
IUPAC Name5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carboxamide
SMILESCCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C(N)=O)c3)c(-n3ccc(C(F)(F)F)n3)c12
InChIInChI=1S/C23H17F4N7O/c1-2-30-16-7-13(24)6-14-18-20(34-4-3-17(33-34)23(25,26)27)15(10-31-22(18)32-19(14)16)11-5-12(21(28)35)9-29-8-11/h3-10,30H,2H2,1H3,(H2,28,35)(H,31,32)
InChIKeyIKMFNGITBSFZFV-UHFFFAOYSA-N
XLogP4.65
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.65
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]pyridine-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]pyridine-3-carboxamide (CID 146646636) is 5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-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]pyridine-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]pyridine-3-carboxamide is CCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C(N)=O)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]pyridine-3-carboxamide?
The InChIKey is IKMFNGITBSFZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N7O/c1-2-30-16-7-13(24)6-14-18-20(34-4-3-17(33-34)23(25,26)27)15(10-31-22(18)32-19(14)16)11-5-12(21(28)35)9-29-8-11/h3-10,30H,2H2,1H3,(H2,28,35)(H,31,32).
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]pyridine-3-carboxamide?
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carboxamide has a molecular weight of 483.43 g/mol, XLogP of 4.65, 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]pyridine-3-carboxamide is sourced from PubChem (CID 146646636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).