(3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile

C21H26N6O2 — CID 121374531

IUPAC(3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
SMILESCn1nc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cc1C(C)(C)CO
InChIInChI=1S/C21H26N6O2/c1-20(2,13-28)16-11-18(25-26(16)3)24-17-10-15(6-8-23-17)27-9-7-21(12-22,19(27)29)14-4-5-14/h6,8,10-11,14,28H,4-5,7,9,13H2,1-3H3,(H,23,24,25)/t21-/m1/s1
InChIKeyVNGIDDUHDSPQQJ-OAQYLSRUSA-N
MW394.48 g/mol
LogP2.49
Rot. Bonds6

About (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile

(3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile (PubChem CID 121374531) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
PubChem CID121374531
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name(3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
SMILESCn1nc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cc1C(C)(C)CO
InChIInChI=1S/C21H26N6O2/c1-20(2,13-28)16-11-18(25-26(16)3)24-17-10-15(6-8-23-17)27-9-7-21(12-22,19(27)29)14-4-5-14/h6,8,10-11,14,28H,4-5,7,9,13H2,1-3H3,(H,23,24,25)/t21-/m1/s1
InChIKeyVNGIDDUHDSPQQJ-OAQYLSRUSA-N
XLogP2.49
TPSA107.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374873
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(cyclopropylmethyl)-1-methylpyrazole-5-carboxamide
CID 121374628
(3S)-3-cyclopropyl-1-[2-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374363
tert-butyl 4-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-1-methylpyrazol-5-yl]piperidine-1-carboxylate
CID 121374449
2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride
CID 121374486
N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide
CID 121374516
(3S)-3-cyclopropyl-1-[2-[[6-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374614
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid
CID 121374564
(3S)-1-[2-[[5-(2-cyanopropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374429
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-1-(difluoromethyl)-N-methylpyrazole-5-carboxamide
CID 121374890
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-1-(difluoromethyl)pyrazole-5-carboxylic acid;hydrochloride
CID 121374744
2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 121374633

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
The IUPAC name of (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile (CID 121374531) is (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile is Cn1nc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cc1C(C)(C)CO.
What is the InChIKey of (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
The InChIKey is VNGIDDUHDSPQQJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-20(2,13-28)16-11-18(25-26(16)3)24-17-10-15(6-8-23-17)27-9-7-21(12-22,19(27)29)14-4-5-14/h6,8,10-11,14,28H,4-5,7,9,13H2,1-3H3,(H,23,24,25)/t21-/m1/s1.
What are the key properties of (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
(3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile has a molecular weight of 394.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 121374531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).