(4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one

C20H23N5O — CID 97138262

IUPAC(4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2ncc([C@@H](C)NC[C@@H]3CC(=O)Nc4ccccc43)c(C)n2n1
InChIInChI=1S/C20H23N5O/c1-12-8-19-22-11-17(14(3)25(19)24-12)13(2)21-10-15-9-20(26)23-18-7-5-4-6-16(15)18/h4-8,11,13,15,21H,9-10H2,1-3H3,(H,23,26)/t13-,15+/m1/s1
InChIKeyZZHWQWROHYPDON-HIFRSBDPSA-N
MW349.44 g/mol
LogP3.12
Rot. Bonds4

About (4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one

(4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 97138262) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID97138262
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2ncc([C@@H](C)NC[C@@H]3CC(=O)Nc4ccccc43)c(C)n2n1
InChIInChI=1S/C20H23N5O/c1-12-8-19-22-11-17(14(3)25(19)24-12)13(2)21-10-15-9-20(26)23-18-7-5-4-6-16(15)18/h4-8,11,13,15,21H,9-10H2,1-3H3,(H,23,26)/t13-,15+/m1/s1
InChIKeyZZHWQWROHYPDON-HIFRSBDPSA-N
XLogP3.12
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 97138262) is (4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cc2ncc([C@@H](C)NC[C@@H]3CC(=O)Nc4ccccc43)c(C)n2n1.
What is the InChIKey of (4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZZHWQWROHYPDON-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-8-19-22-11-17(14(3)25(19)24-12)13(2)21-10-15-9-20(26)23-18-7-5-4-6-16(15)18/h4-8,11,13,15,21H,9-10H2,1-3H3,(H,23,26)/t13-,15+/m1/s1.
What are the key properties of (4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 349.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 97138262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).