1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C24H23N7O2 — CID 130230374

IUPAC1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1cc(CN(C)c2nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc3ccccc23)on1
InChIInChI=1S/C24H23N7O2/c1-15-11-17(33-28-15)13-29(2)23-18-5-3-4-6-19(18)26-22(27-23)14-30-21-12-25-10-9-20(21)31(24(30)32)16-7-8-16/h3-6,9-12,16H,7-8,13-14H2,1-2H3
InChIKeyONKXPWWVDSUSEM-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.46
Rot. Bonds6

About 1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 130230374) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID130230374
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1cc(CN(C)c2nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc3ccccc23)on1
InChIInChI=1S/C24H23N7O2/c1-15-11-17(33-28-15)13-29(2)23-18-5-3-4-6-19(18)26-22(27-23)14-30-21-12-25-10-9-20(21)31(24(30)32)16-7-8-16/h3-6,9-12,16H,7-8,13-14H2,1-2H3
InChIKeyONKXPWWVDSUSEM-UHFFFAOYSA-N
XLogP3.46
TPSA94.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 130230374) is 1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is Cc1cc(CN(C)c2nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc3ccccc23)on1.
What is the InChIKey of 1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is ONKXPWWVDSUSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-15-11-17(33-28-15)13-29(2)23-18-5-3-4-6-19(18)26-22(27-23)14-30-21-12-25-10-9-20(21)31(24(30)32)16-7-8-16/h3-6,9-12,16H,7-8,13-14H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 441.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 130230374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).