1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

C18H19N7O2 — CID 121416712

IUPAC1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC4CCN(C)C4=O)ncc32)ccn1
InChIInChI=1S/C18H19N7O2/c1-11-7-13(3-5-19-11)25-15-10-20-16(8-12(15)9-21-25)23-18(27)22-14-4-6-24(2)17(14)26/h3,5,7-10,14H,4,6H2,1-2H3,(H2,20,22,23,27)
InChIKeyHSDRULOYOSXNSR-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.48
Rot. Bonds3

About 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (PubChem CID 121416712) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
PubChem CID121416712
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC4CCN(C)C4=O)ncc32)ccn1
InChIInChI=1S/C18H19N7O2/c1-11-7-13(3-5-19-11)25-15-10-20-16(8-12(15)9-21-25)23-18(27)22-14-4-6-24(2)17(14)26/h3,5,7-10,14H,4,6H2,1-2H3,(H2,20,22,23,27)
InChIKeyHSDRULOYOSXNSR-UHFFFAOYSA-N
XLogP1.48
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (CID 121416712) is 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.
What is the SMILES notation for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The canonical SMILES for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is Cc1cc(-n2ncc3cc(NC(=O)NC4CCN(C)C4=O)ncc32)ccn1.
What is the InChIKey of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The InChIKey is HSDRULOYOSXNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-11-7-13(3-5-19-11)25-15-10-20-16(8-12(15)9-21-25)23-18(27)22-14-4-6-24(2)17(14)26/h3,5,7-10,14H,4,6H2,1-2H3,(H2,20,22,23,27).
What are the key properties of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea has a molecular weight of 365.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is sourced from PubChem (CID 121416712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).