2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one

C20H20N4O — CID 162649983

IUPAC2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one
SMILESCc1cc(-c2cnc3cn[nH]c3c2)cc2c1C(=O)N(C(C)C1CC1)C2
InChIInChI=1S/C20H20N4O/c1-11-5-14(15-7-17-18(21-8-15)9-22-23-17)6-16-10-24(20(25)19(11)16)12(2)13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,22,23)
InChIKeySJMFTPDTOHEBIO-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.69
Rot. Bonds3

About 2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one

2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one (PubChem CID 162649983) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one
PubChem CID162649983
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one
SMILESCc1cc(-c2cnc3cn[nH]c3c2)cc2c1C(=O)N(C(C)C1CC1)C2
InChIInChI=1S/C20H20N4O/c1-11-5-14(15-7-17-18(21-8-15)9-22-23-17)6-16-10-24(20(25)19(11)16)12(2)13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,22,23)
InChIKeySJMFTPDTOHEBIO-UHFFFAOYSA-N
XLogP3.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one (CID 162649983) is 2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one is Cc1cc(-c2cnc3cn[nH]c3c2)cc2c1C(=O)N(C(C)C1CC1)C2.
What is the InChIKey of 2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one?
The InChIKey is SJMFTPDTOHEBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-11-5-14(15-7-17-18(21-8-15)9-22-23-17)6-16-10-24(20(25)19(11)16)12(2)13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,22,23).
What are the key properties of 2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one?
2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one has a molecular weight of 332.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one is sourced from PubChem (CID 162649983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).