N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H24F2N4O — CID 139009869

IUPACN-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2n1CC(C(=O)NCC1(c3cccc(F)c3F)CCCC1)CC2
InChIInChI=1S/C20H24F2N4O/c1-13-24-25-17-8-7-14(11-26(13)17)19(27)23-12-20(9-2-3-10-20)15-5-4-6-16(21)18(15)22/h4-6,14H,2-3,7-12H2,1H3,(H,23,27)
InChIKeyJCJUKOJPDFSUCO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.06
Rot. Bonds4

About N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 139009869) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID139009869
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC NameN-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2n1CC(C(=O)NCC1(c3cccc(F)c3F)CCCC1)CC2
InChIInChI=1S/C20H24F2N4O/c1-13-24-25-17-8-7-14(11-26(13)17)19(27)23-12-20(9-2-3-10-20)15-5-4-6-16(21)18(15)22/h4-6,14H,2-3,7-12H2,1H3,(H,23,27)
InChIKeyJCJUKOJPDFSUCO-UHFFFAOYSA-N
XLogP3.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95875451
1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122011756
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765192
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56868307
3-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066882
(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide
CID 95284457
N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide
CID 92619784
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide
CID 154775614
N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167942312
(6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97075005
N'-[(4-bromophenyl)methyl]-N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-4-(2,6-dioxopiperidin-1-yl)piperidine-1-carboximidamide;hydrobromide
CID 167827256
3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 122562278

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 139009869) is N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2n1CC(C(=O)NCC1(c3cccc(F)c3F)CCCC1)CC2.
What is the InChIKey of N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is JCJUKOJPDFSUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-13-24-25-17-8-7-14(11-26(13)17)19(27)23-12-20(9-2-3-10-20)15-5-4-6-16(21)18(15)22/h4-6,14H,2-3,7-12H2,1H3,(H,23,27).
What are the key properties of N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 139009869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).