3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile

C27H26N8O2 — CID 162673748

IUPAC3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile
SMILESCC1(C)C(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2N1Cc1cccnc1C#N
InChIInChI=1S/C27H26N8O2/c1-27(2)24(36)21-6-5-17(10-23(21)35(27)15-18-4-3-7-29-22(18)11-28)19-12-30-25(31-13-19)33-8-9-34-20(16-33)14-32-26(34)37/h3-7,10,12-13,20H,8-9,14-16H2,1-2H3,(H,32,37)/t20-/m1/s1
InChIKeyGWNZYBKAOUOJHU-HXUWFJFHSA-N
MW494.56 g/mol
LogP2.61
Rot. Bonds4

About 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile

3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 162673748) has the molecular formula C27H26N8O2 and a molecular weight of 494.56 g/mol. Its IUPAC name is 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID162673748
Molecular FormulaC27H26N8O2
Molecular Weight494.56 g/mol
Exact Mass494.22
IUPAC Name3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile
SMILESCC1(C)C(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2N1Cc1cccnc1C#N
InChIInChI=1S/C27H26N8O2/c1-27(2)24(36)21-6-5-17(10-23(21)35(27)15-18-4-3-7-29-22(18)11-28)19-12-30-25(31-13-19)33-8-9-34-20(16-33)14-32-26(34)37/h3-7,10,12-13,20H,8-9,14-16H2,1-2H3,(H,32,37)/t20-/m1/s1
InChIKeyGWNZYBKAOUOJHU-HXUWFJFHSA-N
XLogP2.61
TPSA118.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[(2R)-4-[5-[1-[(2-cyano-3-pyridinyl)methyl]-2,2-dimethyl-3-oxopyrrolo[2,3-b]pyridin-6-yl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]-2-oxoethyl]acetamide
CID 177248986
12-amino-N-[2-[(2R)-4-[5-[1-[(2-cyano-3-pyridinyl)methyl]-2,2-dimethyl-3-oxopyrrolo[2,3-b]pyridin-6-yl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]-2-oxoethyl]dodecanamide
CID 170636877
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
CID 79091673
7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122620793
(1R,9bR)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-5-one
CID 122617164
N-[3-[(8aS)-7-[5-[1-[(2-cyano-3-pyridinyl)methyl]-2,2-dimethyl-3-oxopyrrolo[2,3-b]pyridin-6-yl]pyrimidin-2-yl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]propyl]-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]acetamide
CID 167222072
7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122620257
6-[3-[1-[9-[4-[2-[(2R)-4-[5-[1-[(2-cyano-3-pyridinyl)methyl]-2,2-dimethyl-3-oxopyrrolo[2,3-b]pyridin-6-yl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]-2-oxoethyl]triazol-1-yl]nonyl]triazol-4-yl]phenoxy]pyridine-3-carboxylic acid
CID 175985620
3-[[6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]pyrimidin-5-yl]-2,2-dimethyl-3-oxopyrrolo[2,3-b]pyridin-1-yl]methyl]pyridine-2-carbonitrile
CID 170636973
7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene
CID 145171960
3-[(3-methyl-2,6-dioxopiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 66073552
7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122622684

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile (CID 162673748) is 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile is CC1(C)C(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2N1Cc1cccnc1C#N.
What is the InChIKey of 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is GWNZYBKAOUOJHU-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H26N8O2/c1-27(2)24(36)21-6-5-17(10-23(21)35(27)15-18-4-3-7-29-22(18)11-28)19-12-30-25(31-13-19)33-8-9-34-20(16-33)14-32-26(34)37/h3-7,10,12-13,20H,8-9,14-16H2,1-2H3,(H,32,37)/t20-/m1/s1.
What are the key properties of 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile?
3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 494.56 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 162673748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).