4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine

C29H32N6O — CID 144866306

IUPAC4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine
SMILESCC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1[C@]12C3C(N4CCOCC4)C[C@@H]1[C@H]32
InChIInChI=1S/C29H32N6O/c1-18(2)35-26(29-21-14-25(28(29)27(21)29)33-9-11-36-12-10-33)15-23(32-35)19-13-24-22(31-16-19)6-8-34(24)17-20-5-3-4-7-30-20/h3-8,13,15-16,18,21,25,27-28H,9-12,14,17H2,1-2H3/t21-,25?,27-,28?,29-/m1/s1
InChIKeyZKHCCVGELGLLIZ-PRFPVBFHSA-N
MW480.62 g/mol
LogP4.14
Rot. Bonds6

About 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine

4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine (PubChem CID 144866306) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine.

Molecular Properties

Compound Name4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine
PubChem CID144866306
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC Name4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine
SMILESCC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1[C@]12C3C(N4CCOCC4)C[C@@H]1[C@H]32
InChIInChI=1S/C29H32N6O/c1-18(2)35-26(29-21-14-25(28(29)27(21)29)33-9-11-36-12-10-33)15-23(32-35)19-13-24-22(31-16-19)6-8-34(24)17-20-5-3-4-7-30-20/h3-8,13,15-16,18,21,25,27-28H,9-12,14,17H2,1-2H3/t21-,25?,27-,28?,29-/m1/s1
InChIKeyZKHCCVGELGLLIZ-PRFPVBFHSA-N
XLogP4.14
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine with MolForge

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Related Compounds

4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]morpholine
CID 123741344
6-[5-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine
CID 118189619
5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 154971399
(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97276264
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 91797332
N'-methyl-3-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111726700
4-[6-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,4-oxazepane
CID 176900801
3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(2S,5R)-1-tricyclo[3.1.0.02,6]hexanyl]pyrazol-3-yl]pyridin-2-amine
CID 154971443
5-fluoro-1-(pyridin-2-ylmethyl)indole
CID 55257545
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86983302
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
5-[5-[(5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hex-1(6)-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 154971528

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine?
The IUPAC name of 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine (CID 144866306) is 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine.
What is the SMILES notation for 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine?
The canonical SMILES for 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine is CC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1[C@]12C3C(N4CCOCC4)C[C@@H]1[C@H]32.
What is the InChIKey of 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine?
The InChIKey is ZKHCCVGELGLLIZ-PRFPVBFHSA-N. The full InChI is InChI=1S/C29H32N6O/c1-18(2)35-26(29-21-14-25(28(29)27(21)29)33-9-11-36-12-10-33)15-23(32-35)19-13-24-22(31-16-19)6-8-34(24)17-20-5-3-4-7-30-20/h3-8,13,15-16,18,21,25,27-28H,9-12,14,17H2,1-2H3/t21-,25?,27-,28?,29-/m1/s1.
What are the key properties of 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine?
4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine has a molecular weight of 480.62 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine is sourced from PubChem (CID 144866306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).