(6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C23H25N5O — CID 166461453

IUPAC(6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESC[C@@H]1Cc2[nH]c(-c3ccnc(-c4ccc(N5CCNCC5)cc4)c3)cc2C(=O)N1
InChIInChI=1S/C23H25N5O/c1-15-12-22-19(23(29)26-15)14-21(27-22)17-6-7-25-20(13-17)16-2-4-18(5-3-16)28-10-8-24-9-11-28/h2-7,13-15,24,27H,8-12H2,1H3,(H,26,29)/t15-/m1/s1
InChIKeyPYYRBDNGMZJGHJ-OAHLLOKOSA-N
MW387.49 g/mol
LogP2.83
Rot. Bonds3

About (6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

(6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 166461453) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is (6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name(6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID166461453
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name(6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESC[C@@H]1Cc2[nH]c(-c3ccnc(-c4ccc(N5CCNCC5)cc4)c3)cc2C(=O)N1
InChIInChI=1S/C23H25N5O/c1-15-12-22-19(23(29)26-15)14-21(27-22)17-6-7-25-20(13-17)16-2-4-18(5-3-16)28-10-8-24-9-11-28/h2-7,13-15,24,27H,8-12H2,1H3,(H,26,29)/t15-/m1/s1
InChIKeyPYYRBDNGMZJGHJ-OAHLLOKOSA-N
XLogP2.83
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of (6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 166461453) is (6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for (6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for (6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is C[C@@H]1Cc2[nH]c(-c3ccnc(-c4ccc(N5CCNCC5)cc4)c3)cc2C(=O)N1.
What is the InChIKey of (6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is PYYRBDNGMZJGHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N5O/c1-15-12-22-19(23(29)26-15)14-21(27-22)17-6-7-25-20(13-17)16-2-4-18(5-3-16)28-10-8-24-9-11-28/h2-7,13-15,24,27H,8-12H2,1H3,(H,26,29)/t15-/m1/s1.
What are the key properties of (6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
(6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 387.49 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 166461453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).