1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile

C24H29N5 — CID 10385563

IUPAC1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile
SMILESCc1cc(C)c(-n2c(C)c(C)c3c(N4CCCC(C#N)C4)nc(C)nc32)c(C)c1
InChIInChI=1S/C24H29N5/c1-14-10-15(2)22(16(3)11-14)29-18(5)17(4)21-23(26-19(6)27-24(21)29)28-9-7-8-20(12-25)13-28/h10-11,20H,7-9,13H2,1-6H3
InChIKeyYMTNNEHDKXSSLY-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.01
Rot. Bonds2

About 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile

1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile (PubChem CID 10385563) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile
PubChem CID10385563
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile
SMILESCc1cc(C)c(-n2c(C)c(C)c3c(N4CCCC(C#N)C4)nc(C)nc32)c(C)c1
InChIInChI=1S/C24H29N5/c1-14-10-15(2)22(16(3)11-14)29-18(5)17(4)21-23(26-19(6)27-24(21)29)28-9-7-8-20(12-25)13-28/h10-11,20H,7-9,13H2,1-6H3
InChIKeyYMTNNEHDKXSSLY-UHFFFAOYSA-N
XLogP5.01
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile?
The IUPAC name of 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile (CID 10385563) is 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile is Cc1cc(C)c(-n2c(C)c(C)c3c(N4CCCC(C#N)C4)nc(C)nc32)c(C)c1.
What is the InChIKey of 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile?
The InChIKey is YMTNNEHDKXSSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-14-10-15(2)22(16(3)11-14)29-18(5)17(4)21-23(26-19(6)27-24(21)29)28-9-7-8-20(12-25)13-28/h10-11,20H,7-9,13H2,1-6H3.
What are the key properties of 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile?
1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile has a molecular weight of 387.53 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carbonitrile is sourced from PubChem (CID 10385563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).