6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one

C20H23N5O — CID 94182663

IUPAC6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nn(C)c2ncc(CN[C@@H](C)c3ccc4c(c3)CCC(=O)N4)cc12
InChIInChI=1S/C20H23N5O/c1-12(15-4-6-18-16(9-15)5-7-19(26)23-18)21-10-14-8-17-13(2)24-25(3)20(17)22-11-14/h4,6,8-9,11-12,21H,5,7,10H2,1-3H3,(H,23,26)/t12-/m0/s1
InChIKeyVLLMETXCJWAXCE-LBPRGKRZSA-N
MW349.44 g/mol
LogP3.01
Rot. Bonds4

About 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 94182663) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID94182663
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nn(C)c2ncc(CN[C@@H](C)c3ccc4c(c3)CCC(=O)N4)cc12
InChIInChI=1S/C20H23N5O/c1-12(15-4-6-18-16(9-15)5-7-19(26)23-18)21-10-14-8-17-13(2)24-25(3)20(17)22-11-14/h4,6,8-9,11-12,21H,5,7,10H2,1-3H3,(H,23,26)/t12-/m0/s1
InChIKeyVLLMETXCJWAXCE-LBPRGKRZSA-N
XLogP3.01
TPSA71.84 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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 94822379
6-[(1R)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 52534243
6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 51131286
1-[4-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 166198033
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 63772068
6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95137572
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282202
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94115891
2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 97333628
6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582546
(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 81386392
6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95579584

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 94182663) is 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is Cc1nn(C)c2ncc(CN[C@@H](C)c3ccc4c(c3)CCC(=O)N4)cc12.
What is the InChIKey of 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VLLMETXCJWAXCE-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12(15-4-6-18-16(9-15)5-7-19(26)23-18)21-10-14-8-17-13(2)24-25(3)20(17)22-11-14/h4,6,8-9,11-12,21H,5,7,10H2,1-3H3,(H,23,26)/t12-/m0/s1.
What are the key properties of 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 349.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 94182663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).