4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C18H22ClN3O3 — CID 171912336

IUPAC4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1cc2c(n1)NC(=O)CC2c1cc(OC)c(OC(C)C)cc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-5-22-9-13-11(7-17(23)20-18(13)21-22)12-6-15(24-4)16(8-14(12)19)25-10(2)3/h6,8-11H,5,7H2,1-4H3,(H,20,21,23)
InChIKeyMWVSHDQQNYYKES-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.83
Rot. Bonds5

About 4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 171912336) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID171912336
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1cc2c(n1)NC(=O)CC2c1cc(OC)c(OC(C)C)cc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-5-22-9-13-11(7-17(23)20-18(13)21-22)12-6-15(24-4)16(8-14(12)19)25-10(2)3/h6,8-11H,5,7H2,1-4H3,(H,20,21,23)
InChIKeyMWVSHDQQNYYKES-UHFFFAOYSA-N
XLogP3.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 171912336) is 4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is CCn1cc2c(n1)NC(=O)CC2c1cc(OC)c(OC(C)C)cc1Cl.
What is the InChIKey of 4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is MWVSHDQQNYYKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-5-22-9-13-11(7-17(23)20-18(13)21-22)12-6-15(24-4)16(8-14(12)19)25-10(2)3/h6,8-11H,5,7H2,1-4H3,(H,20,21,23).
What are the key properties of 4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 363.85 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 171912336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).