3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one

C22H26N4O3 — CID 20961546

IUPAC3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)N1CCOCC1)c(=O)n2C
InChIInChI=1S/C22H26N4O3/c1-15-18(9-10-19(27)25-11-13-29-14-12-25)22(28)24(3)21-20(15)16(2)23-26(21)17-7-5-4-6-8-17/h4-8H,9-14H2,1-3H3
InChIKeyYMXVMSQOKAESTA-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.13
Rot. Bonds4

About 3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one

3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one (PubChem CID 20961546) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
PubChem CID20961546
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)N1CCOCC1)c(=O)n2C
InChIInChI=1S/C22H26N4O3/c1-15-18(9-10-19(27)25-11-13-29-14-12-25)22(28)24(3)21-20(15)16(2)23-26(21)17-7-5-4-6-8-17/h4-8H,9-14H2,1-3H3
InChIKeyYMXVMSQOKAESTA-UHFFFAOYSA-N
XLogP2.13
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one (CID 20961546) is 3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)N1CCOCC1)c(=O)n2C.
What is the InChIKey of 3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The InChIKey is YMXVMSQOKAESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-18(9-10-19(27)25-11-13-29-14-12-25)22(28)24(3)21-20(15)16(2)23-26(21)17-7-5-4-6-8-17/h4-8H,9-14H2,1-3H3.
What are the key properties of 3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one has a molecular weight of 394.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20961546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).