6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

C23H23N5O — CID 165390866

IUPAC6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(COc2ccc(-c3cc4c(N5CCNCC5)ncnc4[nH]3)cc2)cc1
InChIInChI=1S/C23H23N5O/c1-2-4-17(5-3-1)15-29-19-8-6-18(7-9-19)21-14-20-22(27-21)25-16-26-23(20)28-12-10-24-11-13-28/h1-9,14,16,24H,10-13,15H2,(H,25,26,27)
InChIKeyQVDFKBCEJXDRKQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.61
Rot. Bonds5

About 6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 165390866) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID165390866
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(COc2ccc(-c3cc4c(N5CCNCC5)ncnc4[nH]3)cc2)cc1
InChIInChI=1S/C23H23N5O/c1-2-4-17(5-3-1)15-29-19-8-6-18(7-9-19)21-14-20-22(27-21)25-16-26-23(20)28-12-10-24-11-13-28/h1-9,14,16,24H,10-13,15H2,(H,25,26,27)
InChIKeyQVDFKBCEJXDRKQ-UHFFFAOYSA-N
XLogP3.61
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-[4-[(1S)-1-phenylethoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 175937711
5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172570832
1-[2-chloro-4-[[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-3-cyclopropylpropan-2-one
CID 58272937
N-(1-phenylethyl)-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69232929
2-(4-ethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 158584684
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
1-[3-(phenoxymethyl)-2-pyridinyl]piperazine
CID 72550146
1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 84818538
4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]aniline
CID 172623883
4-[4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413987
1-[4-[6-(4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[3-(1-fluoroethoxy)phenyl]propan-1-one
CID 158543600
4-(4-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 177257041

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 165390866) is 6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine is c1ccc(COc2ccc(-c3cc4c(N5CCNCC5)ncnc4[nH]3)cc2)cc1.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is QVDFKBCEJXDRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-4-17(5-3-1)15-29-19-8-6-18(7-9-19)21-14-20-22(27-21)25-16-26-23(20)28-12-10-24-11-13-28/h1-9,14,16,24H,10-13,15H2,(H,25,26,27).
What are the key properties of 6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 385.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 165390866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).