N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

C18H21N5O — CID 167884326

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESc1ccc(Cc2noc(CCNC3CCCn4nccc43)n2)cc1
InChIInChI=1S/C18H21N5O/c1-2-5-14(6-3-1)13-17-21-18(24-22-17)9-10-19-15-7-4-12-23-16(15)8-11-20-23/h1-3,5-6,8,11,15,19H,4,7,9-10,12-13H2
InChIKeySIPQLELSMSZZIV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 167884326) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
PubChem CID167884326
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESc1ccc(Cc2noc(CCNC3CCCn4nccc43)n2)cc1
InChIInChI=1S/C18H21N5O/c1-2-5-14(6-3-1)13-17-21-18(24-22-17)9-10-19-15-7-4-12-23-16(15)8-11-20-23/h1-3,5-6,8,11,15,19H,4,7,9-10,12-13H2
InChIKeySIPQLELSMSZZIV-UHFFFAOYSA-N
XLogP2.52
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine with MolForge

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Related Compounds

(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
CID 97155010
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 62021565
3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039973
3-benzyl-5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42395337
3-benzyl-5-[[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 164639430
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine
CID 63363355
3-benzyl-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 43513464
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 119926025
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,6-naphthyridin-1-amine
CID 167747035
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 167884326) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is c1ccc(Cc2noc(CCNC3CCCn4nccc43)n2)cc1.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is SIPQLELSMSZZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-5-14(6-3-1)13-17-21-18(24-22-17)9-10-19-15-7-4-12-23-16(15)8-11-20-23/h1-3,5-6,8,11,15,19H,4,7,9-10,12-13H2.
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 167884326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).