N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H19F2N5O2 — CID 136526255

IUPACN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CCN(c4ccccc4OC(F)F)C3)cn12
InChIInChI=1S/C19H19F2N5O2/c1-12-23-24-17-7-6-13(10-26(12)17)18(27)22-14-8-9-25(11-14)15-4-2-3-5-16(15)28-19(20)21/h2-7,10,14,19H,8-9,11H2,1H3,(H,22,27)
InChIKeyTXMKRJIFFFWJOO-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.65
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 136526255) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID136526255
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CCN(c4ccccc4OC(F)F)C3)cn12
InChIInChI=1S/C19H19F2N5O2/c1-12-23-24-17-7-6-13(10-26(12)17)18(27)22-14-8-9-25(11-14)15-4-2-3-5-16(15)28-19(20)21/h2-7,10,14,19H,8-9,11H2,1H3,(H,22,27)
InChIKeyTXMKRJIFFFWJOO-UHFFFAOYSA-N
XLogP2.65
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 124565166
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 56791669
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 95629122
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119882938
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 91646113
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86963331
2-(2-aminoethyl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646610
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 86963309
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 124564998
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86963270
N-[2-[[N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111921921
4-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 134801995

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 136526255) is N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2ccc(C(=O)NC3CCN(c4ccccc4OC(F)F)C3)cn12.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is TXMKRJIFFFWJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-12-23-24-17-7-6-13(10-26(12)17)18(27)22-14-8-9-25(11-14)15-4-2-3-5-16(15)28-19(20)21/h2-7,10,14,19H,8-9,11H2,1H3,(H,22,27).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 136526255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).