[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

C22H25N5O3 — CID 135094099

IUPAC[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCOc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CCc3n[nH]c(C)c3C2)cc1
InChIInChI=1S/C22H25N5O3/c1-14-17-13-27(12-9-18(17)24-23-14)22(28)19-20(15-5-7-16(29-2)8-6-15)30-25-21(19)26-10-3-4-11-26/h5-8H,3-4,9-13H2,1-2H3,(H,23,24)
InChIKeyKZVYYAYNWSKCJR-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.18
Rot. Bonds4

About [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 135094099) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
PubChem CID135094099
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCOc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CCc3n[nH]c(C)c3C2)cc1
InChIInChI=1S/C22H25N5O3/c1-14-17-13-27(12-9-18(17)24-23-14)22(28)19-20(15-5-7-16(29-2)8-6-15)30-25-21(19)26-10-3-4-11-26/h5-8H,3-4,9-13H2,1-2H3,(H,23,24)
InChIKeyKZVYYAYNWSKCJR-UHFFFAOYSA-N
XLogP3.18
TPSA87.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398
2-azaspiro[4.4]nonan-2-yl-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135118686
[(3S)-3-aminopyrrolidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135095143
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135115014
5-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135094494
N-cycloheptyl-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135117222
5-(4-methoxyphenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 163309584
5-(4-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135092544
N-(1-hydroxypentan-2-yl)-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135108263
(2,4-dimethoxyphenyl)-(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 5201360
5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135092868
(4-bromo-2-fluoro-3-methylphenyl)-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 154848209

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (CID 135094099) is [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CCc3n[nH]c(C)c3C2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The InChIKey is KZVYYAYNWSKCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-17-13-27(12-9-18(17)24-23-14)22(28)19-20(15-5-7-16(29-2)8-6-15)30-25-21(19)26-10-3-4-11-26/h5-8H,3-4,9-13H2,1-2H3,(H,23,24).
What are the key properties of [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 407.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 135094099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).