6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine

C17H17F2N5O — CID 133494527

IUPAC6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine
SMILESCOCc1nc2n(n1)CC(Nc1ccnc3c(F)cc(F)cc13)CC2
InChIInChI=1S/C17H17F2N5O/c1-25-9-15-22-16-3-2-11(8-24(16)23-15)21-14-4-5-20-17-12(14)6-10(18)7-13(17)19/h4-7,11H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyCQQNFIDZROSJBV-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.68
Rot. Bonds4

About 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine

6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine (PubChem CID 133494527) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine.

Molecular Properties

Compound Name6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine
PubChem CID133494527
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine
SMILESCOCc1nc2n(n1)CC(Nc1ccnc3c(F)cc(F)cc13)CC2
InChIInChI=1S/C17H17F2N5O/c1-25-9-15-22-16-3-2-11(8-24(16)23-15)21-14-4-5-20-17-12(14)6-10(18)7-13(17)19/h4-7,11H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyCQQNFIDZROSJBV-UHFFFAOYSA-N
XLogP2.68
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine with MolForge

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Related Compounds

N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine
CID 133369039
7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine
CID 133281768
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401455
2-(methoxymethyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 126815145
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
CID 122054319
(6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 97223951
4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one
CID 133281758
ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate
CID 166202903
2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 126835902
tert-butyl N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate
CID 102559562
(6R)-N-[(3S,5R)-5-tert-butylthiolan-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 129345354
4-[(6,8-difluoroquinolin-4-yl)amino]-N-[(3S,4R)-4-methoxyoxolan-3-yl]cyclohexane-1-carboxamide
CID 170510675

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine?
The IUPAC name of 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine (CID 133494527) is 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine.
What is the SMILES notation for 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine?
The canonical SMILES for 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine is COCc1nc2n(n1)CC(Nc1ccnc3c(F)cc(F)cc13)CC2.
What is the InChIKey of 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine?
The InChIKey is CQQNFIDZROSJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-25-9-15-22-16-3-2-11(8-24(16)23-15)21-14-4-5-20-17-12(14)6-10(18)7-13(17)19/h4-7,11H,2-3,8-9H2,1H3,(H,20,21).
What are the key properties of 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine?
6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine has a molecular weight of 345.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine is sourced from PubChem (CID 133494527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).