4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde

C25H22N4O2 — CID 141104840

IUPAC4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde
SMILESO=CC1(c2ccccc2)CCN(C(=O)c2cc3cnc(-c4ccccc4)nc3[nH]2)CC1
InChIInChI=1S/C25H22N4O2/c30-17-25(20-9-5-2-6-10-20)11-13-29(14-12-25)24(31)21-15-19-16-26-22(28-23(19)27-21)18-7-3-1-4-8-18/h1-10,15-17H,11-14H2,(H,26,27,28)
InChIKeyLYRCZKAHNFSBJL-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.00
Rot. Bonds4

About 4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde

4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde (PubChem CID 141104840) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde
PubChem CID141104840
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde
SMILESO=CC1(c2ccccc2)CCN(C(=O)c2cc3cnc(-c4ccccc4)nc3[nH]2)CC1
InChIInChI=1S/C25H22N4O2/c30-17-25(20-9-5-2-6-10-20)11-13-29(14-12-25)24(31)21-15-19-16-26-22(28-23(19)27-21)18-7-3-1-4-8-18/h1-10,15-17H,11-14H2,(H,26,27,28)
InChIKeyLYRCZKAHNFSBJL-UHFFFAOYSA-N
XLogP4.00
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104898
[4-(2-chlorophenyl)-4-methoxypiperidin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104902
[4-(2-cyclohexylethyl)piperidin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104835
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104827
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104891
1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168568
N-[2-[[2-phenyl-6-[4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10240029
N-[2-[[6-[4-methoxy-4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10152852
N-[2-[[6-[4-methoxy-4-(2-methylphenyl)piperidine-1-carbonyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]formamide
CID 142259185
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10151783
1-phenylcyclopropane-1-carbaldehyde
CID 11008055

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde?
The IUPAC name of 4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde (CID 141104840) is 4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde?
The canonical SMILES for 4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde is O=CC1(c2ccccc2)CCN(C(=O)c2cc3cnc(-c4ccccc4)nc3[nH]2)CC1.
What is the InChIKey of 4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde?
The InChIKey is LYRCZKAHNFSBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-17-25(20-9-5-2-6-10-20)11-13-29(14-12-25)24(31)21-15-19-16-26-22(28-23(19)27-21)18-7-3-1-4-8-18/h1-10,15-17H,11-14H2,(H,26,27,28).
What are the key properties of 4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde?
4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde has a molecular weight of 410.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 141104840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).