N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide

C28H29N5O3 — CID 59589530

IUPACN-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1
InChIInChI=1S/C28H29N5O3/c34-28(11-14-32-12-1-2-13-32)29-22-6-3-5-20(17-22)18-26-30-27-8-4-7-23(33(27)31-26)21-9-10-24-25(19-21)36-16-15-35-24/h3-10,17,19H,1-2,11-16,18H2,(H,29,34)
InChIKeyUZSAMRCKOXBEAC-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.18
Rot. Bonds7

About N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide

N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 59589530) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide
PubChem CID59589530
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1
InChIInChI=1S/C28H29N5O3/c34-28(11-14-32-12-1-2-13-32)29-22-6-3-5-20(17-22)18-26-30-27-8-4-7-23(33(27)31-26)21-9-10-24-25(19-21)36-16-15-35-24/h3-10,17,19H,1-2,11-16,18H2,(H,29,34)
InChIKeyUZSAMRCKOXBEAC-UHFFFAOYSA-N
XLogP4.18
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide with MolForge

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Related Compounds

N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
4-(3-(3,4-Dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4906449
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3797260
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 6619702
3-(3,4-Dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4904109
1H-Pyrazolo[3,4-b]pyridine-4-carboxaMide, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-
CID 16598922
3-[7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]aniline
CID 24775752
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905172
n-(5-(3-(Benzyloxy)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44625983
N-[3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555957
cyclohexyl N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]carbamate
CID 135217160
benzyl N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]carbamate
CID 135217161

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide (CID 59589530) is N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)Nc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1.
What is the InChIKey of N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is UZSAMRCKOXBEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-28(11-14-32-12-1-2-13-32)29-22-6-3-5-20(17-22)18-26-30-27-8-4-7-23(33(27)31-26)21-9-10-24-25(19-21)36-16-15-35-24/h3-10,17,19H,1-2,11-16,18H2,(H,29,34).
What are the key properties of N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide?
N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 483.57 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 59589530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).