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

C46H56Cl2N12O4 — CID 157332091

IUPAC[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane
SMILESC1CCOC1.CC(C)CCn1c(CO)nc2nc(Cl)ccc21.CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.O=c1[nH]c2cnccc2n1C1CC1
InChIInChI=1S/C21H23ClN6O.C12H16ClN3O.C9H9N3O.C4H8O/c1-13(2)8-10-26-16-5-6-18(22)24-20(16)25-19(26)12-27-17-11-23-9-7-15(17)28(21(27)29)14-3-4-14;1-8(2)5-6-16-9-3-4-10(13)14-12(9)15-11(16)7-17;13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;1-2-4-5-3-1/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3;3-4,8,17H,5-7H2,1-2H3;3-6H,1-2H2,(H,11,13);1-4H2
InChIKeyBFKFPPMVSIWEFI-UHFFFAOYSA-N
MW911.94 g/mol
LogP8.50
Rot. Bonds11

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

[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane (PubChem CID 157332091) has the molecular formula C46H56Cl2N12O4 and a molecular weight of 911.94 g/mol. Its IUPAC name is [5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane.

Molecular Properties

Compound Name[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane
PubChem CID157332091
Molecular FormulaC46H56Cl2N12O4
Molecular Weight911.94 g/mol
Exact Mass910.39
IUPAC Name[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane
SMILESC1CCOC1.CC(C)CCn1c(CO)nc2nc(Cl)ccc21.CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.O=c1[nH]c2cnccc2n1C1CC1
InChIInChI=1S/C21H23ClN6O.C12H16ClN3O.C9H9N3O.C4H8O/c1-13(2)8-10-26-16-5-6-18(22)24-20(16)25-19(26)12-27-17-11-23-9-7-15(17)28(21(27)29)14-3-4-14;1-8(2)5-6-16-9-3-4-10(13)14-12(9)15-11(16)7-17;13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;1-2-4-5-3-1/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3;3-4,8,17H,5-7H2,1-2H3;3-6H,1-2H2,(H,11,13);1-4H2
InChIKeyBFKFPPMVSIWEFI-UHFFFAOYSA-N
XLogP8.50
TPSA181.38 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.94
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane?
The IUPAC name of [5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane (CID 157332091) is [5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane.
What is the SMILES notation for [5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane?
The canonical SMILES for [5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane is C1CCOC1.CC(C)CCn1c(CO)nc2nc(Cl)ccc21.CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.O=c1[nH]c2cnccc2n1C1CC1.
What is the InChIKey of [5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane?
The InChIKey is BFKFPPMVSIWEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O.C12H16ClN3O.C9H9N3O.C4H8O/c1-13(2)8-10-26-16-5-6-18(22)24-20(16)25-19(26)12-27-17-11-23-9-7-15(17)28(21(27)29)14-3-4-14;1-8(2)5-6-16-9-3-4-10(13)14-12(9)15-11(16)7-17;13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;1-2-4-5-3-1/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3;3-4,8,17H,5-7H2,1-2H3;3-6H,1-2H2,(H,11,13);1-4H2.
What are the key properties of [5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane?
[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane has a molecular weight of 911.94 g/mol, XLogP of 8.50, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;oxolane is sourced from PubChem (CID 157332091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).