[3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone

C19H22FN5O — CID 167161414

IUPAC[3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnc3nc(C4CC4)[nH]c13)C2
InChIInChI=1S/C19H22FN5O/c20-14-7-13(14)19(26)25-11-3-4-12(25)9-24(8-11)15-5-6-21-18-16(15)22-17(23-18)10-1-2-10/h5-6,10-14H,1-4,7-9H2,(H,21,22,23)/t11?,12?,13-,14-/m1/s1
InChIKeyCLBQRGIHXKRSOZ-NWINJMCUSA-N
MW355.42 g/mol
LogP2.37
Rot. Bonds3

About [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone

[3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone (PubChem CID 167161414) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone
PubChem CID167161414
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name[3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnc3nc(C4CC4)[nH]c13)C2
InChIInChI=1S/C19H22FN5O/c20-14-7-13(14)19(26)25-11-3-4-12(25)9-24(8-11)15-5-6-21-18-16(15)22-17(23-18)10-1-2-10/h5-6,10-14H,1-4,7-9H2,(H,21,22,23)/t11?,12?,13-,14-/m1/s1
InChIKeyCLBQRGIHXKRSOZ-NWINJMCUSA-N
XLogP2.37
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone?
The IUPAC name of [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone (CID 167161414) is [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone is O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnc3nc(C4CC4)[nH]c13)C2.
What is the InChIKey of [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone?
The InChIKey is CLBQRGIHXKRSOZ-NWINJMCUSA-N. The full InChI is InChI=1S/C19H22FN5O/c20-14-7-13(14)19(26)25-11-3-4-12(25)9-24(8-11)15-5-6-21-18-16(15)22-17(23-18)10-1-2-10/h5-6,10-14H,1-4,7-9H2,(H,21,22,23)/t11?,12?,13-,14-/m1/s1.
What are the key properties of [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone?
[3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone has a molecular weight of 355.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[(1S,2R)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 167161414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).