7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one

C18H18N6O2 — CID 118278474

IUPAC7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3cc4c(cn3)ncn4CC3CC3)cnc21
InChIInChI=1S/C18H18N6O2/c1-23-17(25)9-26-15-4-12(6-20-18(15)23)22-16-5-14-13(7-19-16)21-10-24(14)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyNIWQZRKLKJGSBU-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.34
Rot. Bonds4

About 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one

7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 118278474) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID118278474
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3cc4c(cn3)ncn4CC3CC3)cnc21
InChIInChI=1S/C18H18N6O2/c1-23-17(25)9-26-15-4-12(6-20-18(15)23)22-16-5-14-13(7-19-16)21-10-24(14)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyNIWQZRKLKJGSBU-UHFFFAOYSA-N
XLogP2.34
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 118278474) is 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is CN1C(=O)COc2cc(Nc3cc4c(cn3)ncn4CC3CC3)cnc21.
What is the InChIKey of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is NIWQZRKLKJGSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-23-17(25)9-26-15-4-12(6-20-18(15)23)22-16-5-14-13(7-19-16)21-10-24(14)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22).
What are the key properties of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 350.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 118278474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).