benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine

C38H36ClN9O3 — CID 158347663

IUPACbenzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine
SMILESCC.Nc1cnn2ccccc12.O=C(Nc1cnn2ccccc12)OCc1ccccc1.O=C(Nc1cnn2ccccc12)c1ccccc1Cl
InChIInChI=1S/C15H13N3O2.C14H10ClN3O.C7H7N3.C2H6/c19-15(20-11-12-6-2-1-3-7-12)17-13-10-16-18-9-5-4-8-14(13)18;15-11-6-2-1-5-10(11)14(19)17-12-9-16-18-8-4-3-7-13(12)18;8-6-5-9-10-4-2-1-3-7(6)10;1-2/h1-10H,11H2,(H,17,19);1-9H,(H,17,19);1-5H,8H2;1-2H3
InChIKeyGRXWAVQOQYUKLG-UHFFFAOYSA-N
MW702.22 g/mol
LogP8.27
Rot. Bonds5

About benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine

benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 158347663) has the molecular formula C38H36ClN9O3 and a molecular weight of 702.22 g/mol. Its IUPAC name is benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Namebenzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine
PubChem CID158347663
Molecular FormulaC38H36ClN9O3
Molecular Weight702.22 g/mol
Exact Mass701.26
IUPAC Namebenzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine
SMILESCC.Nc1cnn2ccccc12.O=C(Nc1cnn2ccccc12)OCc1ccccc1.O=C(Nc1cnn2ccccc12)c1ccccc1Cl
InChIInChI=1S/C15H13N3O2.C14H10ClN3O.C7H7N3.C2H6/c19-15(20-11-12-6-2-1-3-7-12)17-13-10-16-18-9-5-4-8-14(13)18;15-11-6-2-1-5-10(11)14(19)17-12-9-16-18-8-4-3-7-13(12)18;8-6-5-9-10-4-2-1-3-7(6)10;1-2/h1-10H,11H2,(H,17,19);1-9H,(H,17,19);1-5H,8H2;1-2H3
InChIKeyGRXWAVQOQYUKLG-UHFFFAOYSA-N
XLogP8.27
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.22
LogP ≤ 58.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine with MolForge

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Related Compounds

[1-(2-acetyl-pyridin-4-ylmethyl)-1H-pyrazol-4-yl]-carbamic acid 2-chloro-benzyl ester
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[1-(4-acetyl-pyridin-2-ylmethyl)-1H-pyrazol-4-yl]-carbamic acid 2-chloro-benzyl ester
CID 66928558
[1-(6-acetyl-pyridin-2-ylmethyl)-1H-pyrazol-4-yl]-carbamic acid 2-chloro-benzyl ester
CID 66928695
(3S,4S)-benzyl 3-((3-carbamoyl-6-(6-((1,3-dioxoisoindolin-2-yl)methyl)pyridin-3-yl)pyrrolo[1,2-b]pyridazin-4-yl)amino)-4-ethylpyrrolidine-1-carboxylate
CID 68350391
Benzyl 3-[[3-carbamoyl-6-[6-[(1,3-dioxoisoindol-2-yl)methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]amino]-4-ethylpyrrolidine-1-carboxylate
CID 77465480
(2-chlorophenyl)methyl N-[1-[3-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]pyrazol-4-yl]carbamate
CID 118146925
[1-[3-[5-[Bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate
CID 123922047
benzyl (3S,4S)-3-amino-4-methylpyrrolidine-1-carboxylate;benzyl (3S,4S)-3-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-4-methylpyrrolidine-1-carboxylate;6-bromo-4-chloropyrrolo[1,2-b]pyridazine-3-carboxamide
CID 158238755
benzyl (4S)-4-amino-3,3-dimethylpyrrolidine-1-carboxylate;benzyl (4S)-4-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-3,3-dimethylpyrrolidine-1-carboxylate;6-bromo-4-chloropyrrolo[1,2-b]pyridazine-3-carboxamide
CID 158993858
Benzyl 4-amino-3,3-dimethylpyrrolidine-1-carboxylate;benzyl 4-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-3,3-dimethylpyrrolidine-1-carboxylate;6-bromo-4-chloropyrrolo[1,2-b]pyridazine-3-carboxamide
CID 158993859
Ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 159968556

Frequently Asked Questions

What is the IUPAC name of benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine (CID 158347663) is benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine is CC.Nc1cnn2ccccc12.O=C(Nc1cnn2ccccc12)OCc1ccccc1.O=C(Nc1cnn2ccccc12)c1ccccc1Cl.
What is the InChIKey of benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is GRXWAVQOQYUKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2.C14H10ClN3O.C7H7N3.C2H6/c19-15(20-11-12-6-2-1-3-7-12)17-13-10-16-18-9-5-4-8-14(13)18;15-11-6-2-1-5-10(11)14(19)17-12-9-16-18-8-4-3-7-13(12)18;8-6-5-9-10-4-2-1-3-7(6)10;1-2/h1-10H,11H2,(H,17,19);1-9H,(H,17,19);1-5H,8H2;1-2H3.
What are the key properties of benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine?
benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 702.22 g/mol, XLogP of 8.27, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 158347663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).