[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C24H27N7O — CID 53180764

IUPAC[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(N2CCNC(c3ccccc3)C2)nc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H27N7O/c32-23(29-13-15-30(16-14-29)24-26-9-4-10-27-24)20-7-8-22(28-17-20)31-12-11-25-21(18-31)19-5-2-1-3-6-19/h1-10,17,21,25H,11-16,18H2
InChIKeyNVHJWOQFNHFYPE-UHFFFAOYSA-N
MW429.53 g/mol
LogP1.98
Rot. Bonds4

About [6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 53180764) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is [6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID53180764
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(N2CCNC(c3ccccc3)C2)nc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H27N7O/c32-23(29-13-15-30(16-14-29)24-26-9-4-10-27-24)20-7-8-22(28-17-20)31-12-11-25-21(18-31)19-5-2-1-3-6-19/h1-10,17,21,25H,11-16,18H2
InChIKeyNVHJWOQFNHFYPE-UHFFFAOYSA-N
XLogP1.98
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Mocetinostat
CID 9865515
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Lerociclib
CID 86269224
BPKDi
CID 46901383
4-((4-Methyl-1-piperazinyl)methyl)-N-(3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-benzamide
CID 4369496
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Cgp-74588
CID 9869737
Dalpiciclib
CID 86279927
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904

Frequently Asked Questions

What is the IUPAC name of [6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 53180764) is [6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(N2CCNC(c3ccccc3)C2)nc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NVHJWOQFNHFYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c32-23(29-13-15-30(16-14-29)24-26-9-4-10-27-24)20-7-8-22(28-17-20)31-12-11-25-21(18-31)19-5-2-1-3-6-19/h1-10,17,21,25H,11-16,18H2.
What are the key properties of [6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 429.53 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-phenylpiperazin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53180764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).