1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

C19H21N5O3 — CID 70783650

IUPAC1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCn1nc(CO)c2c1CCN(C(=O)CCc1nc(-c3ccccc3)no1)C2
InChIInChI=1S/C19H21N5O3/c1-23-16-9-10-24(11-14(16)15(12-25)21-23)18(26)8-7-17-20-19(22-27-17)13-5-3-2-4-6-13/h2-6,25H,7-12H2,1H3
InChIKeyAVLUNCIXBLTRGM-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.48
Rot. Bonds5

About 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 70783650) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID70783650
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCn1nc(CO)c2c1CCN(C(=O)CCc1nc(-c3ccccc3)no1)C2
InChIInChI=1S/C19H21N5O3/c1-23-16-9-10-24(11-14(16)15(12-25)21-23)18(26)8-7-17-20-19(22-27-17)13-5-3-2-4-6-13/h2-6,25H,7-12H2,1H3
InChIKeyAVLUNCIXBLTRGM-UHFFFAOYSA-N
XLogP1.48
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Fluorophenyl)-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-YL)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL]ethan-1-one
CID 53011808
4-isopropyl-N-(4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
CID 53018496
5-[5-(3-Fluoro-4-methylbenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-phenyl-1,2,4-oxadiazole
CID 53018502
2-(2-Fluorophenyl)-1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-YL)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL]ethan-1-one
CID 53018512
2-(4-Fluorophenyl)-1-[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-YL)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL]ethan-1-one
CID 53018514
3-Cyclopropyl-5-[5-(4-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-1,2,4-oxadiazole
CID 53018534
3-Cyclopropyl-5-[5-(3-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-1,2,4-oxadiazole
CID 53018542
2-Ethoxy-1-{3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-YL]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL}ethan-1-one
CID 53018545
5-{5-Cyclopentanecarbonyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL}-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 53018550
3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]isoxazol-5-amine
CID 53018554
(2-fluorophenyl){3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone
CID 53018555
5-[5-(4-Fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 53018556

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 70783650) is 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one is Cn1nc(CO)c2c1CCN(C(=O)CCc1nc(-c3ccccc3)no1)C2.
What is the InChIKey of 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is AVLUNCIXBLTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-23-16-9-10-24(11-14(16)15(12-25)21-23)18(26)8-7-17-20-19(22-27-17)13-5-3-2-4-6-13/h2-6,25H,7-12H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 367.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 70783650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).