cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C23H23N5O — CID 46965192

IUPACcyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nc(-c3ccncc3)ncc2-c2ccncc2)CC1
InChIInChI=1S/C23H23N5O/c29-23(19-1-2-19)28-13-7-17(8-14-28)21-20(16-3-9-24-10-4-16)15-26-22(27-21)18-5-11-25-12-6-18/h3-6,9-12,15,17,19H,1-2,7-8,13-14H2
InChIKeyDPVOAEUVTSTPPO-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.72
Rot. Bonds4

About cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 46965192) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID46965192
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Namecyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nc(-c3ccncc3)ncc2-c2ccncc2)CC1
InChIInChI=1S/C23H23N5O/c29-23(19-1-2-19)28-13-7-17(8-14-28)21-20(16-3-9-24-10-4-16)15-26-22(27-21)18-5-11-25-12-6-18/h3-6,9-12,15,17,19H,1-2,7-8,13-14H2
InChIKeyDPVOAEUVTSTPPO-UHFFFAOYSA-N
XLogP3.72
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 46965194
[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 42191212
[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46954753
cyclopropyl-[(3R)-3-(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590922
1-[(3S)-3-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 51583946
pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965218
1-[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 46965171
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965157
[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46954762
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
CID 16669854
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 16669455
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 46965180

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 46965192) is cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2nc(-c3ccncc3)ncc2-c2ccncc2)CC1.
What is the InChIKey of cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is DPVOAEUVTSTPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c29-23(19-1-2-19)28-13-7-17(8-14-28)21-20(16-3-9-24-10-4-16)15-26-22(27-21)18-5-11-25-12-6-18/h3-6,9-12,15,17,19H,1-2,7-8,13-14H2.
What are the key properties of cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 385.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46965192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).