[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C31H33ClF3N5O2 — CID 58327940

IUPAC[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C31H33ClF3N5O2/c32-25-4-5-27(31(33,34)35)24(17-25)20-40-11-8-36-29-28(40)18-23(19-37-29)21-2-1-3-22(16-21)30(41)39-9-6-26(7-10-39)38-12-14-42-15-13-38/h1-5,16-19,26H,6-15,20H2,(H,36,37)
InChIKeyUXQKEUADQKFNGM-UHFFFAOYSA-N
MW600.09 g/mol
LogP5.79
Rot. Bonds5

About [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 58327940) has the molecular formula C31H33ClF3N5O2 and a molecular weight of 600.09 g/mol. Its IUPAC name is [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID58327940
Molecular FormulaC31H33ClF3N5O2
Molecular Weight600.09 g/mol
Exact Mass599.23
IUPAC Name[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C31H33ClF3N5O2/c32-25-4-5-27(31(33,34)35)24(17-25)20-40-11-8-36-29-28(40)18-23(19-37-29)21-2-1-3-22(16-21)30(41)39-9-6-26(7-10-39)38-12-14-42-15-13-38/h1-5,16-19,26H,6-15,20H2,(H,36,37)
InChIKeyUXQKEUADQKFNGM-UHFFFAOYSA-N
XLogP5.79
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.09
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46871638
{1-[(5-Chloro-2-trifluoromethyl)benzyl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-7-yl}piperidin-1-yl-methanone
CID 46906792
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 46906793
1-[4-(4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-7-yl}pyridin-2-yl)piperazin-1-yl]ethanone
CID 46906794
N-[5-(2,6-dimorpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 86297088
3-(difluoromethyl)-N-[5-(2,6-dimorpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]benzamide
CID 117610076
4-chloro-1-N-[(3,4-difluorophenyl)methyl]-6-fluoro-3-N-(3-methyl-5-morpholin-4-yl-2-pyridinyl)benzene-1,3-dicarboxamide
CID 166175737
N-[(2R)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 44393198
N-[(2S)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 44393391
N-[6-methyl-5-(2-morpholin-4-yl-6-piperazin-1-ylpyridin-4-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609842
US11319299, Example 138
CID 137376760
US11319299, Example 175
CID 137376973

Frequently Asked Questions

What is the IUPAC name of [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 58327940) is [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is UXQKEUADQKFNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClF3N5O2/c32-25-4-5-27(31(33,34)35)24(17-25)20-40-11-8-36-29-28(40)18-23(19-37-29)21-2-1-3-22(16-21)30(41)39-9-6-26(7-10-39)38-12-14-42-15-13-38/h1-5,16-19,26H,6-15,20H2,(H,36,37).
What are the key properties of [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 600.09 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 58327940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).