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

C25H27N5 — CID 118189619

IUPAC6-[5-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESCC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C25H27N5/c1-16(2)30-24(25-19-7-5-8-20(19)25)13-22(28-30)17-12-23-21(27-14-17)9-11-29(23)15-18-6-3-4-10-26-18/h3-4,6,9-14,16,19-20,25H,5,7-8,15H2,1-2H3/t19-,20+,25?
InChIKeyTZFAPGVKEMIRCX-WPUZRXDDSA-N
MW397.53 g/mol
LogP5.44
Rot. Bonds5

About 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

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 (PubChem CID 118189619) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[5-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine
PubChem CID118189619
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name6-[5-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESCC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C25H27N5/c1-16(2)30-24(25-19-7-5-8-20(19)25)13-22(28-30)17-12-23-21(27-14-17)9-11-29(23)15-18-6-3-4-10-26-18/h3-4,6,9-14,16,19-20,25H,5,7-8,15H2,1-2H3/t19-,20+,25?
InChIKeyTZFAPGVKEMIRCX-WPUZRXDDSA-N
XLogP5.44
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1C1[C@H]2CCC[C@@H]12.
What is the InChIKey of 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?
The InChIKey is TZFAPGVKEMIRCX-WPUZRXDDSA-N. The full InChI is InChI=1S/C25H27N5/c1-16(2)30-24(25-19-7-5-8-20(19)25)13-22(28-30)17-12-23-21(27-14-17)9-11-29(23)15-18-6-3-4-10-26-18/h3-4,6,9-14,16,19-20,25H,5,7-8,15H2,1-2H3/t19-,20+,25?.
What are the key properties of 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?
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 has a molecular weight of 397.53 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118189619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).