8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one

C27H32FN7O2 — CID 146531214

IUPAC8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCN(C)CC1CCN(c2ccc(-c3cc4c(cc3F)nnc3c4n(C4CCOCC4)c(=O)n3C)cn2)C1
InChIInChI=1S/C27H32FN7O2/c1-32(2)15-17-6-9-34(16-17)24-5-4-18(14-29-24)20-12-21-23(13-22(20)28)30-31-26-25(21)35(27(36)33(26)3)19-7-10-37-11-8-19/h4-5,12-14,17,19H,6-11,15-16H2,1-3H3
InChIKeyZQXIUTZVPAVMJX-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.22
Rot. Bonds5

About 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one

8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (PubChem CID 146531214) has the molecular formula C27H32FN7O2 and a molecular weight of 505.60 g/mol. Its IUPAC name is 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
PubChem CID146531214
Molecular FormulaC27H32FN7O2
Molecular Weight505.60 g/mol
Exact Mass505.26
IUPAC Name8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCN(C)CC1CCN(c2ccc(-c3cc4c(cc3F)nnc3c4n(C4CCOCC4)c(=O)n3C)cn2)C1
InChIInChI=1S/C27H32FN7O2/c1-32(2)15-17-6-9-34(16-17)24-5-4-18(14-29-24)20-12-21-23(13-22(20)28)30-31-26-25(21)35(27(36)33(26)3)19-7-10-37-11-8-19/h4-5,12-14,17,19H,6-11,15-16H2,1-3H3
InChIKeyZQXIUTZVPAVMJX-UHFFFAOYSA-N
XLogP3.22
TPSA81.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (CID 146531214) is 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is CN(C)CC1CCN(c2ccc(-c3cc4c(cc3F)nnc3c4n(C4CCOCC4)c(=O)n3C)cn2)C1.
What is the InChIKey of 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The InChIKey is ZQXIUTZVPAVMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O2/c1-32(2)15-17-6-9-34(16-17)24-5-4-18(14-29-24)20-12-21-23(13-22(20)28)30-31-26-25(21)35(27(36)33(26)3)19-7-10-37-11-8-19/h4-5,12-14,17,19H,6-11,15-16H2,1-3H3.
What are the key properties of 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one has a molecular weight of 505.60 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 146531214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).