azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone

C25H26F2N6O2 — CID 151298458

IUPACazepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESO=C(c1cc2c(cn1)c(-c1cnc3c(F)cc(F)cn13)nn2C1CCCCO1)N1CCCCCC1
InChIInChI=1S/C25H26F2N6O2/c26-16-11-18(27)24-29-14-21(32(24)15-16)23-17-13-28-19(25(34)31-8-4-1-2-5-9-31)12-20(17)33(30-23)22-7-3-6-10-35-22/h11-15,22H,1-10H2
InChIKeyOBXJQYUJYQBUBL-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.74
Rot. Bonds3

About azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone

azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone (PubChem CID 151298458) has the molecular formula C25H26F2N6O2 and a molecular weight of 480.52 g/mol. Its IUPAC name is azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone
PubChem CID151298458
Molecular FormulaC25H26F2N6O2
Molecular Weight480.52 g/mol
Exact Mass480.21
IUPAC Nameazepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESO=C(c1cc2c(cn1)c(-c1cnc3c(F)cc(F)cn13)nn2C1CCCCO1)N1CCCCCC1
InChIInChI=1S/C25H26F2N6O2/c26-16-11-18(27)24-29-14-21(32(24)15-16)23-17-13-28-19(25(34)31-8-4-1-2-5-9-31)12-20(17)33(30-23)22-7-3-6-10-35-22/h11-15,22H,1-10H2
InChIKeyOBXJQYUJYQBUBL-UHFFFAOYSA-N
XLogP4.74
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The IUPAC name of azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone (CID 151298458) is azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone is O=C(c1cc2c(cn1)c(-c1cnc3c(F)cc(F)cn13)nn2C1CCCCO1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The InChIKey is OBXJQYUJYQBUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O2/c26-16-11-18(27)24-29-14-21(32(24)15-16)23-17-13-28-19(25(34)31-8-4-1-2-5-9-31)12-20(17)33(30-23)22-7-3-6-10-35-22/h11-15,22H,1-10H2.
What are the key properties of azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone has a molecular weight of 480.52 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]methanone is sourced from PubChem (CID 151298458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).