7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

C24H26N4O3 — CID 136597874

IUPAC7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cnc(OC(C)C)c(C)c1-c1ccc2c(c1)[nH]c(=O)c1cnn([C@H]3CCOC3)c12
InChIInChI=1S/C24H26N4O3/c1-13(2)31-24-15(4)21(14(3)10-25-24)16-5-6-18-20(9-16)27-23(29)19-11-26-28(22(18)19)17-7-8-30-12-17/h5-6,9-11,13,17H,7-8,12H2,1-4H3,(H,27,29)/t17-/m0/s1
InChIKeyCYLBJOQSPCYMLG-KRWDZBQOSA-N
MW418.50 g/mol
LogP4.31
Rot. Bonds4

About 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136597874) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136597874
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cnc(OC(C)C)c(C)c1-c1ccc2c(c1)[nH]c(=O)c1cnn([C@H]3CCOC3)c12
InChIInChI=1S/C24H26N4O3/c1-13(2)31-24-15(4)21(14(3)10-25-24)16-5-6-18-20(9-16)27-23(29)19-11-26-28(22(18)19)17-7-8-30-12-17/h5-6,9-11,13,17H,7-8,12H2,1-4H3,(H,27,29)/t17-/m0/s1
InChIKeyCYLBJOQSPCYMLG-KRWDZBQOSA-N
XLogP4.31
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid
CID 136987510
8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505497
7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136933007
7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136932996
7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 137257288
3-methanimidoyl-7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-4-[(3-methylideneoxan-4-yl)amino]-1H-quinolin-2-one
CID 137257357
benzenesulfonic acid;3-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136987508
8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136619104
8-bromo-1-cyclopentyl-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505471
5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;ethyl 5-(4-bromo-2,5-difluorophenyl)-1-[(3R)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3R)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3R)-oxolan-3-yl]pyrazole-4-carboxylate;8-fluoro-7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 161487162
8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505633
8-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505829

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136597874) is 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cnc(OC(C)C)c(C)c1-c1ccc2c(c1)[nH]c(=O)c1cnn([C@H]3CCOC3)c12.
What is the InChIKey of 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is CYLBJOQSPCYMLG-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-13(2)31-24-15(4)21(14(3)10-25-24)16-5-6-18-20(9-16)27-23(29)19-11-26-28(22(18)19)17-7-8-30-12-17/h5-6,9-11,13,17H,7-8,12H2,1-4H3,(H,27,29)/t17-/m0/s1.
What are the key properties of 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 418.50 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136597874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).