[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone

C17H17N5O2 — CID 95557519

IUPAC[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
SMILESCc1ccccc1[C@@]1(O)CCN(C(=O)c2ccn3nnnc3c2)C1
InChIInChI=1S/C17H17N5O2/c1-12-4-2-3-5-14(12)17(24)7-9-21(11-17)16(23)13-6-8-22-15(10-13)18-19-20-22/h2-6,8,10,24H,7,9,11H2,1H3/t17-/m1/s1
InChIKeyGNKJOLLBXXJKHV-QGZVFWFLSA-N
MW323.36 g/mol
LogP1.17
Rot. Bonds2

About [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone

[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone (PubChem CID 95557519) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
PubChem CID95557519
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
SMILESCc1ccccc1[C@@]1(O)CCN(C(=O)c2ccn3nnnc3c2)C1
InChIInChI=1S/C17H17N5O2/c1-12-4-2-3-5-14(12)17(24)7-9-21(11-17)16(23)13-6-8-22-15(10-13)18-19-20-22/h2-6,8,10,24H,7,9,11H2,1H3/t17-/m1/s1
InChIKeyGNKJOLLBXXJKHV-QGZVFWFLSA-N
XLogP1.17
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 135108285
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56890894
1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72881128
[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97114823
2-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 56753711
tetrazolo[1,5-a]pyridine-7-carboxamide
CID 140609958
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 56894930
[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 16672954
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(3R)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95202402
[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95224033
[(3R)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 97123907
1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one
CID 172657464

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
The IUPAC name of [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone (CID 95557519) is [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone is Cc1ccccc1[C@@]1(O)CCN(C(=O)c2ccn3nnnc3c2)C1.
What is the InChIKey of [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
The InChIKey is GNKJOLLBXXJKHV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-4-2-3-5-14(12)17(24)7-9-21(11-17)16(23)13-6-8-22-15(10-13)18-19-20-22/h2-6,8,10,24H,7,9,11H2,1H3/t17-/m1/s1.
What are the key properties of [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone has a molecular weight of 323.36 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone is sourced from PubChem (CID 95557519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).