2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile

C30H37N9O3 — CID 170756192

IUPAC2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile
SMILESCC(c1nc(C2CN(C(=O)c3cnn(CC#N)c3)CC23CN(C(=O)[C@H]2CC2(C)C)C3)no1)n1ccc(C2CCCC2)n1
InChIInChI=1S/C30H37N9O3/c1-19(39-10-8-24(34-39)20-6-4-5-7-20)26-33-25(35-42-26)23-15-36(27(40)21-13-32-38(14-21)11-9-31)16-30(23)17-37(18-30)28(41)22-12-29(22,2)3/h8,10,13-14,19-20,22-23H,4-7,11-12,15-18H2,1-3H3/t19?,22-,23?/m1/s1
InChIKeyRFXNQTWMCCWOIA-RUDSSYLZSA-N
MW571.69 g/mol
LogP3.37
Rot. Bonds7

About 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile

2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile (PubChem CID 170756192) has the molecular formula C30H37N9O3 and a molecular weight of 571.69 g/mol. Its IUPAC name is 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile
PubChem CID170756192
Molecular FormulaC30H37N9O3
Molecular Weight571.69 g/mol
Exact Mass571.30
IUPAC Name2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile
SMILESCC(c1nc(C2CN(C(=O)c3cnn(CC#N)c3)CC23CN(C(=O)[C@H]2CC2(C)C)C3)no1)n1ccc(C2CCCC2)n1
InChIInChI=1S/C30H37N9O3/c1-19(39-10-8-24(34-39)20-6-4-5-7-20)26-33-25(35-42-26)23-15-36(27(40)21-13-32-38(14-21)11-9-31)16-30(23)17-37(18-30)28(41)22-12-29(22,2)3/h8,10,13-14,19-20,22-23H,4-7,11-12,15-18H2,1-3H3/t19?,22-,23?/m1/s1
InChIKeyRFXNQTWMCCWOIA-RUDSSYLZSA-N
XLogP3.37
TPSA138.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.69
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile with MolForge

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Related Compounds

4-[[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]methyl]benzonitrile
CID 175984115
[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
CID 170756573
4-[[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-formyl-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]methyl]benzoic acid
CID 170756155
[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
CID 175984090
[7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
CID 170756383
prop-2-enyl 8-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carboxylate
CID 175984106
5-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde
CID 170755936
ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one
CID 170755884
[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
CID 170755984
[7-(1-benzylpyrazole-4-carbonyl)-5-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
CID 170756066
[(1S)-2,2-dimethylcyclopropyl]-[5-[5-(1-hydrazinylethyl)-1,2,4-oxadiazol-3-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 170756321
5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 170758441

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile (CID 170756192) is 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile is CC(c1nc(C2CN(C(=O)c3cnn(CC#N)c3)CC23CN(C(=O)[C@H]2CC2(C)C)C3)no1)n1ccc(C2CCCC2)n1.
What is the InChIKey of 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile?
The InChIKey is RFXNQTWMCCWOIA-RUDSSYLZSA-N. The full InChI is InChI=1S/C30H37N9O3/c1-19(39-10-8-24(34-39)20-6-4-5-7-20)26-33-25(35-42-26)23-15-36(27(40)21-13-32-38(14-21)11-9-31)16-30(23)17-37(18-30)28(41)22-12-29(22,2)3/h8,10,13-14,19-20,22-23H,4-7,11-12,15-18H2,1-3H3/t19?,22-,23?/m1/s1.
What are the key properties of 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile?
2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile has a molecular weight of 571.69 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 170756192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).