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

C19H17F2N5O2 — CID 118278476

IUPAC7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(F)(F)Oc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc21
InChIInChI=1S/C19H17F2N5O2/c1-25-14-5-4-12(6-16(14)28-19(20,21)18(25)27)24-17-7-15-13(8-22-17)23-10-26(15)9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,22,24)
InChIKeyUWALHBHAIPDYBK-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.53
Rot. Bonds4

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

7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one (PubChem CID 118278476) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one
PubChem CID118278476
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(F)(F)Oc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc21
InChIInChI=1S/C19H17F2N5O2/c1-25-14-5-4-12(6-16(14)28-19(20,21)18(25)27)24-17-7-15-13(8-22-17)23-10-26(15)9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,22,24)
InChIKeyUWALHBHAIPDYBK-UHFFFAOYSA-N
XLogP3.53
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-methyl-2-[3-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568471
N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568562
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
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-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56673689
1-[4-[4-[(5-Bromo-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56680334

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one (CID 118278476) is 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)C(F)(F)Oc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc21.
What is the InChIKey of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is UWALHBHAIPDYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-25-14-5-4-12(6-16(14)28-19(20,21)18(25)27)24-17-7-15-13(8-22-17)23-10-26(15)9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,22,24).
What are the key properties of 7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one?
7-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 385.37 g/mol, XLogP of 3.53, 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]-2,2-difluoro-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 118278476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).