1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane

C42H48F2N12O4 — CID 159008797

IUPAC1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane
SMILESC1CCOC1.O=c1[nH]c2cnccc2n1C1CC1.O=c1n(Cc2nc3ncccc3n2CCCF)c2cnccc2n1C1CC1.OCc1nc2ncccc2n1CCCF
InChIInChI=1S/C19H19FN6O.C10H12FN3O.C9H9N3O.C4H8O/c20-7-2-10-24-15-3-1-8-22-18(15)23-17(24)12-25-16-11-21-9-6-14(16)26(19(25)27)13-4-5-13;11-4-2-6-14-8-3-1-5-12-10(8)13-9(14)7-15;13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;1-2-4-5-3-1/h1,3,6,8-9,11,13H,2,4-5,7,10,12H2;1,3,5,15H,2,4,6-7H2;3-6H,1-2H2,(H,11,13);1-4H2
InChIKeyJSGFKOUWEBECIF-UHFFFAOYSA-N
MW822.92 g/mol
LogP5.82
Rot. Bonds11

About 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane

1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane (PubChem CID 159008797) has the molecular formula C42H48F2N12O4 and a molecular weight of 822.92 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane
PubChem CID159008797
Molecular FormulaC42H48F2N12O4
Molecular Weight822.92 g/mol
Exact Mass822.39
IUPAC Name1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane
SMILESC1CCOC1.O=c1[nH]c2cnccc2n1C1CC1.O=c1n(Cc2nc3ncccc3n2CCCF)c2cnccc2n1C1CC1.OCc1nc2ncccc2n1CCCF
InChIInChI=1S/C19H19FN6O.C10H12FN3O.C9H9N3O.C4H8O/c20-7-2-10-24-15-3-1-8-22-18(15)23-17(24)12-25-16-11-21-9-6-14(16)26(19(25)27)13-4-5-13;11-4-2-6-14-8-3-1-5-12-10(8)13-9(14)7-15;13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;1-2-4-5-3-1/h1,3,6,8-9,11,13H,2,4-5,7,10,12H2;1,3,5,15H,2,4,6-7H2;3-6H,1-2H2,(H,11,13);1-4H2
InChIKeyJSGFKOUWEBECIF-UHFFFAOYSA-N
XLogP5.82
TPSA181.38 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500822.92
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane?
The IUPAC name of 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane (CID 159008797) is 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane?
The canonical SMILES for 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane is C1CCOC1.O=c1[nH]c2cnccc2n1C1CC1.O=c1n(Cc2nc3ncccc3n2CCCF)c2cnccc2n1C1CC1.OCc1nc2ncccc2n1CCCF.
What is the InChIKey of 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane?
The InChIKey is JSGFKOUWEBECIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O.C10H12FN3O.C9H9N3O.C4H8O/c20-7-2-10-24-15-3-1-8-22-18(15)23-17(24)12-25-16-11-21-9-6-14(16)26(19(25)27)13-4-5-13;11-4-2-6-14-8-3-1-5-12-10(8)13-9(14)7-15;13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;1-2-4-5-3-1/h1,3,6,8-9,11,13H,2,4-5,7,10,12H2;1,3,5,15H,2,4,6-7H2;3-6H,1-2H2,(H,11,13);1-4H2.
What are the key properties of 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane?
1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane has a molecular weight of 822.92 g/mol, XLogP of 5.82, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(3-fluoropropyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane is sourced from PubChem (CID 159008797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).