4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine

C29H28N4 — CID 45208935

IUPAC4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
SMILESc1ccc(-c2cnc(-c3ccncc3)nc2C2CCCN(C3Cc4ccccc4C3)C2)cc1
InChIInChI=1S/C29H28N4/c1-2-7-21(8-3-1)27-19-31-29(22-12-14-30-15-13-22)32-28(27)25-11-6-16-33(20-25)26-17-23-9-4-5-10-24(23)18-26/h1-5,7-10,12-15,19,25-26H,6,11,16-18,20H2
InChIKeyXTAOALGNQRXAPP-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.55
Rot. Bonds4

About 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine

4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine (PubChem CID 45208935) has the molecular formula C29H28N4 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
PubChem CID45208935
Molecular FormulaC29H28N4
Molecular Weight432.57 g/mol
Exact Mass432.23
IUPAC Name4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
SMILESc1ccc(-c2cnc(-c3ccncc3)nc2C2CCCN(C3Cc4ccccc4C3)C2)cc1
InChIInChI=1S/C29H28N4/c1-2-7-21(8-3-1)27-19-31-29(22-12-14-30-15-13-22)32-28(27)25-11-6-16-33(20-25)26-17-23-9-4-5-10-24(23)18-26/h1-5,7-10,12-15,19,25-26H,6,11,16-18,20H2
InChIKeyXTAOALGNQRXAPP-UHFFFAOYSA-N
XLogP5.55
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine with MolForge

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Related Compounds

4-[1-(furan-3-ylmethyl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
CID 45167284
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 45207664
[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(2,3,6-trifluorophenyl)methanone
CID 26343730
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 42430527
4-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine
CID 29151200
1-[(3S)-3-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 51583946
pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590860
2-(4-chloro-2-methylphenoxy)-1-[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 45247230
1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 51583286
2-methyl-1-[3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 46965163
2-methyl-1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51584074
4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 110172397

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine (CID 45208935) is 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine is c1ccc(-c2cnc(-c3ccncc3)nc2C2CCCN(C3Cc4ccccc4C3)C2)cc1.
What is the InChIKey of 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine?
The InChIKey is XTAOALGNQRXAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4/c1-2-7-21(8-3-1)27-19-31-29(22-12-14-30-15-13-22)32-28(27)25-11-6-16-33(20-25)26-17-23-9-4-5-10-24(23)18-26/h1-5,7-10,12-15,19,25-26H,6,11,16-18,20H2.
What are the key properties of 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine?
4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine has a molecular weight of 432.57 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 45208935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).