(4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone

C25H24N4O2 — CID 141104898

IUPAC(4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
SMILESCOC1(c2ccccc2)CCN(C(=O)c2cc3cnc(-c4ccccc4)nc3[nH]2)CC1
InChIInChI=1S/C25H24N4O2/c1-31-25(20-10-6-3-7-11-20)12-14-29(15-13-25)24(30)21-16-19-17-26-22(28-23(19)27-21)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,26,27,28)
InChIKeyTUBFZUZIFWMCAC-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.40
Rot. Bonds4

About (4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone

(4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone (PubChem CID 141104898) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
PubChem CID141104898
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
SMILESCOC1(c2ccccc2)CCN(C(=O)c2cc3cnc(-c4ccccc4)nc3[nH]2)CC1
InChIInChI=1S/C25H24N4O2/c1-31-25(20-10-6-3-7-11-20)12-14-29(15-13-25)24(30)21-16-19-17-26-22(28-23(19)27-21)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,26,27,28)
InChIKeyTUBFZUZIFWMCAC-UHFFFAOYSA-N
XLogP4.40
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chlorophenyl)-4-methoxypiperidin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104902
4-phenyl-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carbaldehyde
CID 141104840
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104827
[4-(2-cyclohexylethyl)piperidin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104835
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104891
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
1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
(4-methoxy-4-phenylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 162636120
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
2-[[6-[4-[2-(2-chlorophenyl)phenyl]-4-methoxypiperidine-1-carbonyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 59128463
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

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone (CID 141104898) is (4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone is COC1(c2ccccc2)CCN(C(=O)c2cc3cnc(-c4ccccc4)nc3[nH]2)CC1.
What is the InChIKey of (4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone?
The InChIKey is TUBFZUZIFWMCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-31-25(20-10-6-3-7-11-20)12-14-29(15-13-25)24(30)21-16-19-17-26-22(28-23(19)27-21)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,26,27,28).
What are the key properties of (4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone?
(4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone has a molecular weight of 412.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-4-phenylpiperidin-1-yl)-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 141104898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).