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

C20H21N5O2 — CID 162661589

IUPAC7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc2N(C)C1=O
InChIInChI=1S/C20H21N5O2/c1-12-20(26)24(2)16-6-5-14(7-18(16)27-12)23-19-8-17-15(9-21-19)22-11-25(17)10-13-3-4-13/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyJSRHINWXQLPSBQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.33
Rot. Bonds4

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

7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 162661589) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID162661589
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc2N(C)C1=O
InChIInChI=1S/C20H21N5O2/c1-12-20(26)24(2)16-6-5-14(7-18(16)27-12)23-19-8-17-15(9-21-19)22-11-25(17)10-13-3-4-13/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyJSRHINWXQLPSBQ-UHFFFAOYSA-N
XLogP3.33
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

7-[[3-(Cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 122688120
7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one
CID 146316064
(R)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
CID 16116961
4-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazine-1-carboxamide
CID 45381640
1-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3-methoxy-phenyl]piperazin-1-yl]ethanone
CID 53380818
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56659844
1-[4-[4-[[5-Chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56663313
1-(4-(4-(5-Chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazin-1-yl)ethanone
CID 56663314
1-[4-[4-[[5-Chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56663315
2-[4-(4-Acetylpiperazin-1-yl)-2-methoxyanilino]-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carbonitrile
CID 56666509
1-[4-[4-[[5-Chloro-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56670168
1-[4-[4-[[5-Chloro-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56670170

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one (CID 162661589) is 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one is CC1Oc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc2N(C)C1=O.
What is the InChIKey of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is JSRHINWXQLPSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-20(26)24(2)16-6-5-14(7-18(16)27-12)23-19-8-17-15(9-21-19)22-11-25(17)10-13-3-4-13/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,23).
What are the key properties of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one?
7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 363.42 g/mol, XLogP of 3.33, 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]-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 162661589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).