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

C19H20N6O2 — CID 162676831

IUPAC7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1cc(Nc2cnc3c(c2)OCC(=O)N3C)nc2c1ncn2CC1CC1
InChIInChI=1S/C19H20N6O2/c1-11-5-15(23-19-17(11)21-10-25(19)8-12-3-4-12)22-13-6-14-18(20-7-13)24(2)16(26)9-27-14/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,22,23)
InChIKeySLTJCGDOKDTBSL-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.64
Rot. Bonds4

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

7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 162676831) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID162676831
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1cc(Nc2cnc3c(c2)OCC(=O)N3C)nc2c1ncn2CC1CC1
InChIInChI=1S/C19H20N6O2/c1-11-5-15(23-19-17(11)21-10-25(19)8-12-3-4-12)22-13-6-14-18(20-7-13)24(2)16(26)9-27-14/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,22,23)
InChIKeySLTJCGDOKDTBSL-UHFFFAOYSA-N
XLogP2.64
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 162676831) is 7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is Cc1cc(Nc2cnc3c(c2)OCC(=O)N3C)nc2c1ncn2CC1CC1.
What is the InChIKey of 7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is SLTJCGDOKDTBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-5-15(23-19-17(11)21-10-25(19)8-12-3-4-12)22-13-6-14-18(20-7-13)24(2)16(26)9-27-14/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,22,23).
What are the key properties of 7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 364.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 162676831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).