1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine

C14H14F3N5 — CID 126818034

IUPAC1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
SMILESCn1ncc(C(F)(F)F)c1CNCc1cn2ccccc2n1
InChIInChI=1S/C14H14F3N5/c1-21-12(11(7-19-21)14(15,16)17)8-18-6-10-9-22-5-3-2-4-13(22)20-10/h2-5,7,9,18H,6,8H2,1H3
InChIKeyAQVDNWMMVKVQKW-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.38
Rot. Bonds4

About 1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine

1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine (PubChem CID 126818034) has the molecular formula C14H14F3N5 and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
PubChem CID126818034
Molecular FormulaC14H14F3N5
Molecular Weight309.29 g/mol
Exact Mass309.12
IUPAC Name1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
SMILESCn1ncc(C(F)(F)F)c1CNCc1cn2ccccc2n1
InChIInChI=1S/C14H14F3N5/c1-21-12(11(7-19-21)14(15,16)17)8-18-6-10-9-22-5-3-2-4-13(22)20-10/h2-5,7,9,18H,6,8H2,1H3
InChIKeyAQVDNWMMVKVQKW-UHFFFAOYSA-N
XLogP2.38
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine?
The IUPAC name of 1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine (CID 126818034) is 1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine is Cn1ncc(C(F)(F)F)c1CNCc1cn2ccccc2n1.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine?
The InChIKey is AQVDNWMMVKVQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5/c1-21-12(11(7-19-21)14(15,16)17)8-18-6-10-9-22-5-3-2-4-13(22)20-10/h2-5,7,9,18H,6,8H2,1H3.
What are the key properties of 1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine?
1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine has a molecular weight of 309.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine is sourced from PubChem (CID 126818034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).