7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one

C19H19N5O2 — CID 162650199

IUPAC7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc21
InChIInChI=1S/C19H19N5O2/c1-23-15-5-4-13(6-17(15)26-10-19(23)25)22-18-7-16-14(8-20-18)21-11-24(16)9-12-2-3-12/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyHIIVWGHOGKSZAN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.94
Rot. Bonds4

About 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one

7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 162650199) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one
PubChem CID162650199
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc21
InChIInChI=1S/C19H19N5O2/c1-23-15-5-4-13(6-17(15)26-10-19(23)25)22-18-7-16-14(8-20-18)21-11-24(16)9-12-2-3-12/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyHIIVWGHOGKSZAN-UHFFFAOYSA-N
XLogP2.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

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CID 146316064
CID 45381640
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CID 53380818
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CID 56659844
CID 56659844
CID 56663313
CID 56663313
CID 56663314
CID 56663314
CID 56663315
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CID 56666509
CID 56666509

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one (CID 162650199) is 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc21.
What is the InChIKey of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is HIIVWGHOGKSZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-23-15-5-4-13(6-17(15)26-10-19(23)25)22-18-7-16-14(8-20-18)21-11-24(16)9-12-2-3-12/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22).
What are the key properties of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 349.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 162650199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).