3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one

C19H26N6O — CID 159456640

IUPAC3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCc1nc(N2CCC(N3CC[C@@H](N(C)C)C3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H26N6O/c1-13-16(14-10-20-21-11-14)4-5-18(22-13)25-9-7-17(19(25)26)24-8-6-15(12-24)23(2)3/h4-5,10-11,15,17H,6-9,12H2,1-3H3,(H,20,21)/t15-,17?/m1/s1
InChIKeyLUBDWKZWZCNGIV-LDCVWXEPSA-N
MW354.46 g/mol
LogP1.52
Rot. Bonds4

About 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one

3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 159456640) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID159456640
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCc1nc(N2CCC(N3CC[C@@H](N(C)C)C3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H26N6O/c1-13-16(14-10-20-21-11-14)4-5-18(22-13)25-9-7-17(19(25)26)24-8-6-15(12-24)23(2)3/h4-5,10-11,15,17H,6-9,12H2,1-3H3,(H,20,21)/t15-,17?/m1/s1
InChIKeyLUBDWKZWZCNGIV-LDCVWXEPSA-N
XLogP1.52
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one with MolForge

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Related Compounds

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CID 134248897
3-[[1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxopyrrolidin-3-yl]amino]benzenesulfonamide
CID 122515768
3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
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1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(2H-tetrazol-5-yl)anilino]pyrrolidin-2-one
CID 122515869
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one
CID 134254296
N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 22915279
[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63616448
cyclohexanol;(1E)-N,N-dimethyl-2-[3-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]phenyl]buta-1,3-dien-1-amine
CID 145086848
6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyridin-3-amine
CID 67208586
[4-(dimethylamino)piperidin-1-yl]-[8-(1H-pyrazol-4-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl]methanone
CID 58203766
3-[(3-chlorophenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238909
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
CID 130304794

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one (CID 159456640) is 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one is Cc1nc(N2CCC(N3CC[C@@H](N(C)C)C3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is LUBDWKZWZCNGIV-LDCVWXEPSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13-16(14-10-20-21-11-14)4-5-18(22-13)25-9-7-17(19(25)26)24-8-6-15(12-24)23(2)3/h4-5,10-11,15,17H,6-9,12H2,1-3H3,(H,20,21)/t15-,17?/m1/s1.
What are the key properties of 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 354.46 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 159456640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).