2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine

C27H24F4N6 — CID 170793893

IUPAC2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine
SMILESCC(C)=Cc1cc2nc(-c3cnn(C(F)F)c3)c(N3CCC(=Cc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C27H24F4N6/c1-16(2)9-21-12-23-24(14-32-21)35-26(25(34-23)19-13-33-37(15-19)27(30)31)36-7-5-17(6-8-36)10-18-3-4-20(28)11-22(18)29/h3-4,9-15,27H,5-8H2,1-2H3
InChIKeyLAIGKQHWLCZMEG-UHFFFAOYSA-N
MW508.52 g/mol
LogP6.67
Rot. Bonds5

About 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine

2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine (PubChem CID 170793893) has the molecular formula C27H24F4N6 and a molecular weight of 508.52 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine
PubChem CID170793893
Molecular FormulaC27H24F4N6
Molecular Weight508.52 g/mol
Exact Mass508.20
IUPAC Name2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine
SMILESCC(C)=Cc1cc2nc(-c3cnn(C(F)F)c3)c(N3CCC(=Cc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C27H24F4N6/c1-16(2)9-21-12-23-24(14-32-21)35-26(25(34-23)19-13-33-37(15-19)27(30)31)36-7-5-17(6-8-36)10-18-3-4-20(28)11-22(18)29/h3-4,9-15,27H,5-8H2,1-2H3
InChIKeyLAIGKQHWLCZMEG-UHFFFAOYSA-N
XLogP6.67
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.52
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine with MolForge

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Related Compounds

1-[2-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-3-[1-(fluoromethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
CID 170793729
1-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
CID 170793837
(2S)-2-[3-[1-(difluoromethyl)pyrazol-4-yl]-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-3-methylbutane-2,3-diol
CID 170794253
2-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-3-methylbutane-2,3-diol
CID 170793956
2-[3-[1-(difluoromethyl)pyrazol-4-yl]-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-3-methylbutan-2-ol
CID 170794335
2,7-bis[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazine
CID 170794254
2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine
CID 170793964
1-[2-amino-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
CID 177191028
(2R)-2-[2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-3-methylbutane-2,3-diol
CID 174263050
1-[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-1-one
CID 170794094
1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(1-ethylpyrazol-4-yl)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-1-one
CID 170794119
(2S)-2-[3-(1-cyclopropylpyrazol-4-yl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-3-methylbutane-2,3-diol
CID 174262643

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine (CID 170793893) is 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine is CC(C)=Cc1cc2nc(-c3cnn(C(F)F)c3)c(N3CCC(=Cc4ccc(F)cc4F)CC3)nc2cn1.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine?
The InChIKey is LAIGKQHWLCZMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N6/c1-16(2)9-21-12-23-24(14-32-21)35-26(25(34-23)19-13-33-37(15-19)27(30)31)36-7-5-17(6-8-36)10-18-3-4-20(28)11-22(18)29/h3-4,9-15,27H,5-8H2,1-2H3.
What are the key properties of 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine?
2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine has a molecular weight of 508.52 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine is sourced from PubChem (CID 170793893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).