(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone

C26H34FN5O — CID 69327426

IUPAC(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ncnc(C)c1C(=O)N1CCC(N2CCN(C3CCc4ccc(F)cc43)[C@@H](C)C2)CC1
InChIInChI=1S/C26H34FN5O/c1-17-15-31(12-13-32(17)24-7-5-20-4-6-21(27)14-23(20)24)22-8-10-30(11-9-22)26(33)25-18(2)28-16-29-19(25)3/h4,6,14,16-17,22,24H,5,7-13,15H2,1-3H3/t17-,24?/m0/s1
InChIKeyWAODFHJHIBAIFX-KEJDIYNNSA-N
MW451.59 g/mol
LogP3.53
Rot. Bonds3

About (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone

(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 69327426) has the molecular formula C26H34FN5O and a molecular weight of 451.59 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone
PubChem CID69327426
Molecular FormulaC26H34FN5O
Molecular Weight451.59 g/mol
Exact Mass451.27
IUPAC Name(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ncnc(C)c1C(=O)N1CCC(N2CCN(C3CCc4ccc(F)cc43)[C@@H](C)C2)CC1
InChIInChI=1S/C26H34FN5O/c1-17-15-31(12-13-32(17)24-7-5-20-4-6-21(27)14-23(20)24)22-8-10-30(11-9-22)26(33)25-18(2)28-16-29-19(25)3/h4,6,14,16-17,22,24H,5,7-13,15H2,1-3H3/t17-,24?/m0/s1
InChIKeyWAODFHJHIBAIFX-KEJDIYNNSA-N
XLogP3.53
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[6-(fluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone
CID 90083386
(3S)-3-methyl-4-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylic acid
CID 68742148
(4,6-dimethylpyrimidin-5-yl)-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 91811655
[4-(4-benzhydryl-3-methylpiperazin-1-yl)piperidin-1-yl]-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 21336297
(2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 143049045
2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid
CID 106745469
(3R)-1-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-3-methylpyrrolidine-3-carboxylic acid
CID 129469360
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate
CID 71919347
[(3aS,6aR)-5-[(3S)-4-[(1S,2S)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2,4-dimethyl-3-pyridinyl)methanone
CID 46882074
[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110399802
[4-(9-fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 168957926

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone (CID 69327426) is (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone is Cc1ncnc(C)c1C(=O)N1CCC(N2CCN(C3CCc4ccc(F)cc43)[C@@H](C)C2)CC1.
What is the InChIKey of (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is WAODFHJHIBAIFX-KEJDIYNNSA-N. The full InChI is InChI=1S/C26H34FN5O/c1-17-15-31(12-13-32(17)24-7-5-20-4-6-21(27)14-23(20)24)22-8-10-30(11-9-22)26(33)25-18(2)28-16-29-19(25)3/h4,6,14,16-17,22,24H,5,7-13,15H2,1-3H3/t17-,24?/m0/s1.
What are the key properties of (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone?
(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 451.59 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 69327426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).