4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one

C19H23N5O3 — CID 172572731

IUPAC4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one
SMILESC=Cc1nn(C2CCCCO2)c2c(OC)nc(-c3c(C)[nH]n(C)c3=O)cc12
InChIInChI=1S/C19H23N5O3/c1-5-13-12-10-14(16-11(2)21-23(3)19(16)25)20-18(26-4)17(12)24(22-13)15-8-6-7-9-27-15/h5,10,15,21H,1,6-9H2,2-4H3
InChIKeyZXZBTHFTLRRWNO-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.78
Rot. Bonds4

About 4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one

4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one (PubChem CID 172572731) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one
PubChem CID172572731
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one
SMILESC=Cc1nn(C2CCCCO2)c2c(OC)nc(-c3c(C)[nH]n(C)c3=O)cc12
InChIInChI=1S/C19H23N5O3/c1-5-13-12-10-14(16-11(2)21-23(3)19(16)25)20-18(26-4)17(12)24(22-13)15-8-6-7-9-27-15/h5,10,15,21H,1,6-9H2,2-4H3
InChIKeyZXZBTHFTLRRWNO-UHFFFAOYSA-N
XLogP2.78
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one (CID 172572731) is 4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one is C=Cc1nn(C2CCCCO2)c2c(OC)nc(-c3c(C)[nH]n(C)c3=O)cc12.
What is the InChIKey of 4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is ZXZBTHFTLRRWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-5-13-12-10-14(16-11(2)21-23(3)19(16)25)20-18(26-4)17(12)24(22-13)15-8-6-7-9-27-15/h5,10,15,21H,1,6-9H2,2-4H3.
What are the key properties of 4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one?
4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 369.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethenyl-7-methoxy-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-2,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 172572731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).