4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine

C24H21F4N7O — CID 159595912

IUPAC4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine
SMILESCCNc1cc(F)cc2c1Cc1ncc(-c3cnc(OC)nc3)c(-n3cc(CN)c(C(F)(F)F)n3)c1-2
InChIInChI=1S/C24H21F4N7O/c1-3-30-18-5-14(25)4-16-15(18)6-19-20(16)21(35-11-12(7-29)22(34-35)24(26,27)28)17(10-31-19)13-8-32-23(36-2)33-9-13/h4-5,8-11,30H,3,6-7,29H2,1-2H3
InChIKeyMKVKKMMJFILHCA-UHFFFAOYSA-N
MW499.47 g/mol
LogP4.35
Rot. Bonds6

About 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine

4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine (PubChem CID 159595912) has the molecular formula C24H21F4N7O and a molecular weight of 499.47 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine
PubChem CID159595912
Molecular FormulaC24H21F4N7O
Molecular Weight499.47 g/mol
Exact Mass499.17
IUPAC Name4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine
SMILESCCNc1cc(F)cc2c1Cc1ncc(-c3cnc(OC)nc3)c(-n3cc(CN)c(C(F)(F)F)n3)c1-2
InChIInChI=1S/C24H21F4N7O/c1-3-30-18-5-14(25)4-16-15(18)6-19-20(16)21(35-11-12(7-29)22(34-35)24(26,27)28)17(10-31-19)13-8-32-23(36-2)33-9-13/h4-5,8-11,30H,3,6-7,29H2,1-2H3
InChIKeyMKVKKMMJFILHCA-UHFFFAOYSA-N
XLogP4.35
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine?
The IUPAC name of 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine (CID 159595912) is 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine.
What is the SMILES notation for 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine?
The canonical SMILES for 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine is CCNc1cc(F)cc2c1Cc1ncc(-c3cnc(OC)nc3)c(-n3cc(CN)c(C(F)(F)F)n3)c1-2.
What is the InChIKey of 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine?
The InChIKey is MKVKKMMJFILHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N7O/c1-3-30-18-5-14(25)4-16-15(18)6-19-20(16)21(35-11-12(7-29)22(34-35)24(26,27)28)17(10-31-19)13-8-32-23(36-2)33-9-13/h4-5,8-11,30H,3,6-7,29H2,1-2H3.
What are the key properties of 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine?
4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine has a molecular weight of 499.47 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine is sourced from PubChem (CID 159595912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).