4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride

C13H20ClF2N5O2 — CID 120954928

IUPAC4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOCc1nc2n(n1)CC(NC(=O)C1CC(F)(F)CN1)CC2.Cl
InChIInChI=1S/C13H19F2N5O2.ClH/c1-22-6-10-18-11-3-2-8(5-20(11)19-10)17-12(21)9-4-13(14,15)7-16-9;/h8-9,16H,2-7H2,1H3,(H,17,21);1H
InChIKeyBTAHPDSUQOGJFF-UHFFFAOYSA-N
MW351.79 g/mol
LogP0.27
Rot. Bonds4

About 4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride

4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120954928) has the molecular formula C13H20ClF2N5O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120954928
Molecular FormulaC13H20ClF2N5O2
Molecular Weight351.79 g/mol
Exact Mass351.13
IUPAC Name4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOCc1nc2n(n1)CC(NC(=O)C1CC(F)(F)CN1)CC2.Cl
InChIInChI=1S/C13H19F2N5O2.ClH/c1-22-6-10-18-11-3-2-8(5-20(11)19-10)17-12(21)9-4-13(14,15)7-16-9;/h8-9,16H,2-7H2,1H3,(H,17,21);1H
InChIKeyBTAHPDSUQOGJFF-UHFFFAOYSA-N
XLogP0.27
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea
CID 134788553
3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134796580
3-[[2-(Methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one
CID 71851287
[(2S)-pyrrolidin-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64575215
pyrrolidin-2-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64575600
3-[1-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71928700
1-[2-(2,2-Difluoroethoxy)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86818782
(3R)-3-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97089774
(3R)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97089775
(3S)-3-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97089776
(3S)-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97089777
1-[2-(2,2-difluoroethoxy)ethyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99834017

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 120954928) is 4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride is COCc1nc2n(n1)CC(NC(=O)C1CC(F)(F)CN1)CC2.Cl.
What is the InChIKey of 4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is BTAHPDSUQOGJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5O2.ClH/c1-22-6-10-18-11-3-2-8(5-20(11)19-10)17-12(21)9-4-13(14,15)7-16-9;/h8-9,16H,2-7H2,1H3,(H,17,21);1H.
What are the key properties of 4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride?
4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 351.79 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120954928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).