5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one

C20H18N6O2 — CID 135272455

IUPAC5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one
SMILESC=CC(=O)N1CC(n2cnc3c(=O)n(-c4c(C)ccc5[nH]ncc45)ccc32)C1
InChIInChI=1S/C20H18N6O2/c1-3-17(27)24-9-13(10-24)26-11-21-18-16(26)6-7-25(20(18)28)19-12(2)4-5-15-14(19)8-22-23-15/h3-8,11,13H,1,9-10H2,2H3,(H,22,23)
InChIKeyFWKVUVOJEMWKGI-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.94
Rot. Bonds3

About 5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one

5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one (PubChem CID 135272455) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one
PubChem CID135272455
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one
SMILESC=CC(=O)N1CC(n2cnc3c(=O)n(-c4c(C)ccc5[nH]ncc45)ccc32)C1
InChIInChI=1S/C20H18N6O2/c1-3-17(27)24-9-13(10-24)26-11-21-18-16(26)6-7-25(20(18)28)19-12(2)4-5-15-14(19)8-22-23-15/h3-8,11,13H,1,9-10H2,2H3,(H,22,23)
InChIKeyFWKVUVOJEMWKGI-UHFFFAOYSA-N
XLogP1.94
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one (CID 135272455) is 5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one is C=CC(=O)N1CC(n2cnc3c(=O)n(-c4c(C)ccc5[nH]ncc45)ccc32)C1.
What is the InChIKey of 5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is FWKVUVOJEMWKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-3-17(27)24-9-13(10-24)26-11-21-18-16(26)6-7-25(20(18)28)19-12(2)4-5-15-14(19)8-22-23-15/h3-8,11,13H,1,9-10H2,2H3,(H,22,23).
What are the key properties of 5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one?
5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 374.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 135272455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).