2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride

C19H22ClN7O2 — CID 121374486

IUPAC2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride
SMILESCNC(=O)Cn1ccc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)n1.Cl
InChIInChI=1S/C19H21N7O2.ClH/c1-21-17(27)11-25-8-5-15(24-25)23-16-10-14(4-7-22-16)26-9-6-19(12-20,18(26)28)13-2-3-13;/h4-5,7-8,10,13H,2-3,6,9,11H2,1H3,(H,21,27)(H,22,23,24);1H/t19-;/m1./s1
InChIKeyOACUMJLXTHLCHL-FSRHSHDFSA-N
MW415.89 g/mol
LogP1.85
Rot. Bonds6

About 2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride

2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride (PubChem CID 121374486) has the molecular formula C19H22ClN7O2 and a molecular weight of 415.89 g/mol. Its IUPAC name is 2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride
PubChem CID121374486
Molecular FormulaC19H22ClN7O2
Molecular Weight415.89 g/mol
Exact Mass415.15
IUPAC Name2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride
SMILESCNC(=O)Cn1ccc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)n1.Cl
InChIInChI=1S/C19H21N7O2.ClH/c1-21-17(27)11-25-8-5-15(24-25)23-16-10-14(4-7-22-16)26-9-6-19(12-20,18(26)28)13-2-3-13;/h4-5,7-8,10,13H,2-3,6,9,11H2,1H3,(H,21,27)(H,22,23,24);1H/t19-;/m1./s1
InChIKeyOACUMJLXTHLCHL-FSRHSHDFSA-N
XLogP1.85
TPSA115.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.89
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide
CID 121374516
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid
CID 121374564
(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
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(cyclopropylmethyl)-1-methylpyrazole-5-carboxamide
CID 121374628
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-1-(difluoromethyl)-N-methylpyrazole-5-carboxamide
CID 121374890
(3S)-3-cyclopropyl-1-[2-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374363
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-1-(difluoromethyl)pyrazole-5-carboxylic acid;hydrochloride
CID 121374744
(3S)-3-cyclopropyl-1-[2-[[6-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374614
2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 121374633
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 121374389
(3S)-3-cyclopropyl-1-[2-[[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374504

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride (CID 121374486) is 2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride is CNC(=O)Cn1ccc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)n1.Cl.
What is the InChIKey of 2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride?
The InChIKey is OACUMJLXTHLCHL-FSRHSHDFSA-N. The full InChI is InChI=1S/C19H21N7O2.ClH/c1-21-17(27)11-25-8-5-15(24-25)23-16-10-14(4-7-22-16)26-9-6-19(12-20,18(26)28)13-2-3-13;/h4-5,7-8,10,13H,2-3,6,9,11H2,1H3,(H,21,27)(H,22,23,24);1H/t19-;/m1./s1.
What are the key properties of 2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride?
2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride has a molecular weight of 415.89 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 121374486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).