2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile

C25H25N7O2 — CID 170583193

IUPAC2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCn1cc(C(=O)N2CC(Cc3nc4cnc5ccc(C#N)cc5c4n3C3CCOCC3)C2)cn1
InChIInChI=1S/C25H25N7O2/c1-30-15-18(11-28-30)25(33)31-13-17(14-31)9-23-29-22-12-27-21-3-2-16(10-26)8-20(21)24(22)32(23)19-4-6-34-7-5-19/h2-3,8,11-12,15,17,19H,4-7,9,13-14H2,1H3
InChIKeySFQYWYJQVMBDJP-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.86
Rot. Bonds4

About 2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile

2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 170583193) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID170583193
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCn1cc(C(=O)N2CC(Cc3nc4cnc5ccc(C#N)cc5c4n3C3CCOCC3)C2)cn1
InChIInChI=1S/C25H25N7O2/c1-30-15-18(11-28-30)25(33)31-13-17(14-31)9-23-29-22-12-27-21-3-2-16(10-26)8-20(21)24(22)32(23)19-4-6-34-7-5-19/h2-3,8,11-12,15,17,19H,4-7,9,13-14H2,1H3
InChIKeySFQYWYJQVMBDJP-UHFFFAOYSA-N
XLogP2.86
TPSA101.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[(3-amino-2-methoxyprop-2-enylidene)amino]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 142423967
1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583011
2-[8-cyano-1-[(3R)-1-methyl-6-oxopiperidin-3-yl]imidazo[4,5-c]quinolin-2-yl]-N-(cyclopropylmethyl)acetamide
CID 170582817
1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691412
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-[1-(oxetan-3-yl)pyrazol-4-yl]acetamide
CID 176873311
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 170389436
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-pyrimidin-5-ylacetamide
CID 176873088
2-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691397
2-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691396
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(4-methyl-3-pyridinyl)acetamide
CID 176873118
2-[8-cyano-1-(2-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 170583039
1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid
CID 170337555

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile (CID 170583193) is 2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile is Cn1cc(C(=O)N2CC(Cc3nc4cnc5ccc(C#N)cc5c4n3C3CCOCC3)C2)cn1.
What is the InChIKey of 2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is SFQYWYJQVMBDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-30-15-18(11-28-30)25(33)31-13-17(14-31)9-23-29-22-12-27-21-3-2-16(10-26)8-20(21)24(22)32(23)19-4-6-34-7-5-19/h2-3,8,11-12,15,17,19H,4-7,9,13-14H2,1H3.
What are the key properties of 2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile?
2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 455.52 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 170583193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).