[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone

C25H20ClF2N7O — CID 143313572

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN(c3cnc(-c4ccc(F)cc4F)c(-c4ccncc4Cl)n3)CC2)cn1
InChIInChI=1S/C25H20ClF2N7O/c1-15-11-31-21(13-30-15)25(36)35-8-6-34(7-9-35)22-14-32-23(18-3-2-16(27)10-20(18)28)24(33-22)17-4-5-29-12-19(17)26/h2-5,10-14H,6-9H2,1H3
InChIKeyCMCSHZJSOFDETK-UHFFFAOYSA-N
MW507.93 g/mol
LogP4.20
Rot. Bonds4

About [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 143313572) has the molecular formula C25H20ClF2N7O and a molecular weight of 507.93 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID143313572
Molecular FormulaC25H20ClF2N7O
Molecular Weight507.93 g/mol
Exact Mass507.14
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN(c3cnc(-c4ccc(F)cc4F)c(-c4ccncc4Cl)n3)CC2)cn1
InChIInChI=1S/C25H20ClF2N7O/c1-15-11-31-21(13-30-15)25(36)35-8-6-34(7-9-35)22-14-32-23(18-3-2-16(27)10-20(18)28)24(33-22)17-4-5-29-12-19(17)26/h2-5,10-14H,6-9H2,1H3
InChIKeyCMCSHZJSOFDETK-UHFFFAOYSA-N
XLogP4.20
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.93
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Darovasertib
CID 118873253
5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470758
4-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)pyridine-2-carboxamide
CID 470763
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-(dimethylamino)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873182
Glecirasib
CID 157827766
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576686
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
(5-Methyl-2-pyrazinyl){4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
CID 2810682
1-(5-(4-Chlorophenyl)-6-(pyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576684
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloropyrazine-2-carboxamide
CID 57390764

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 143313572) is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCN(c3cnc(-c4ccc(F)cc4F)c(-c4ccncc4Cl)n3)CC2)cn1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is CMCSHZJSOFDETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N7O/c1-15-11-31-21(13-30-15)25(36)35-8-6-34(7-9-35)22-14-32-23(18-3-2-16(27)10-20(18)28)24(33-22)17-4-5-29-12-19(17)26/h2-5,10-14H,6-9H2,1H3.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 507.93 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 143313572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).