[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

C23H22F2N4O2 — CID 58207582

IUPAC[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1OC(F)F
InChIInChI=1S/C23H22F2N4O2/c1-15-17(8-5-11-26-15)22(30)21-19(31-23(24)25)9-10-20(28-21)29-13-12-27-18(14-29)16-6-3-2-4-7-16/h2-11,18,23,27H,12-14H2,1H3
InChIKeyCSCKROFJGHGXRH-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.77
Rot. Bonds6

About [3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 58207582) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is [3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
PubChem CID58207582
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC Name[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1OC(F)F
InChIInChI=1S/C23H22F2N4O2/c1-15-17(8-5-11-26-15)22(30)21-19(31-23(24)25)9-10-20(28-21)29-13-12-27-18(14-29)16-6-3-2-4-7-16/h2-11,18,23,27H,12-14H2,1H3
InChIKeyCSCKROFJGHGXRH-UHFFFAOYSA-N
XLogP3.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone
CID 10763212
(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
(2-aminopyridin-3-yl)-[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone
CID 57690531
6-(5-(difluoromethoxy)pyridin-2-yl)-N-(1-(4-fluorophenyl)ethyl)-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831158
N-((2-Morpholin-4-yl-pyridin-3-yl)methyl)-6-(4-cyanophenyl)-pyrazine-2-carboxamide
CID 16040159
2'-(Cyclopropanecarboxamido)-5-methoxy-[3,4'-bipyridine]-6-carboxamide
CID 118732145
US9656959, Example 10
CID 57407350
6-(5-methoxy-3-pyridinyl)-8-[4-[1-(3-oxobutyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 58093949
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-methoxy-3-methylpyridine-2-carboxamide
CID 70356220
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-(fluoromethoxy)-3-methylpyridine-2-carboxamide
CID 70356240
N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoropyridin-2-yl]-5-methoxy-3-methylpyridine-2-carboxamide
CID 71273903
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 88602949

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (CID 58207582) is [3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1OC(F)F.
What is the InChIKey of [3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is CSCKROFJGHGXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-15-17(8-5-11-26-15)22(30)21-19(31-23(24)25)9-10-20(28-21)29-13-12-27-18(14-29)16-6-3-2-4-7-16/h2-11,18,23,27H,12-14H2,1H3.
What are the key properties of [3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
[3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 424.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 58207582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).