(6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C18H21N3O — CID 69182661

IUPAC(6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1N[C@@H](C2CCCCC2)Cc2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C18H21N3O/c22-18-14-10-15(13-6-8-19-9-7-13)20-17(14)11-16(21-18)12-4-2-1-3-5-12/h6-10,12,16,20H,1-5,11H2,(H,21,22)/t16-/m1/s1
InChIKeyDSRLBKVXZFDPBP-MRXNPFEDSA-N
MW295.39 g/mol
LogP3.31
Rot. Bonds2

About (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

(6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 69182661) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name(6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID69182661
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1N[C@@H](C2CCCCC2)Cc2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C18H21N3O/c22-18-14-10-15(13-6-8-19-9-7-13)20-17(14)11-16(21-18)12-4-2-1-3-5-12/h6-10,12,16,20H,1-5,11H2,(H,21,22)/t16-/m1/s1
InChIKeyDSRLBKVXZFDPBP-MRXNPFEDSA-N
XLogP3.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 69182661) is (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1N[C@@H](C2CCCCC2)Cc2[nH]c(-c3ccncc3)cc21.
What is the InChIKey of (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is DSRLBKVXZFDPBP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18-14-10-15(13-6-8-19-9-7-13)20-17(14)11-16(21-18)12-4-2-1-3-5-12/h6-10,12,16,20H,1-5,11H2,(H,21,22)/t16-/m1/s1.
What are the key properties of (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
(6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 295.39 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 69182661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).