6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine

C27H23ClFN7 — CID 60199131

IUPAC6-(5-chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine
SMILESCN1CCC(CC1)N2C=C(C=N2)C3=CN=CC(=C3)C4=CC(=NC5=NC=CN=C45)C6=C(C=CC(=C6)Cl)F
InChIInChI=1S/C27H23ClFN7/c1-35-8-4-21(5-9-35)36-16-19(15-33-36)17-10-18(14-30-13-17)22-12-25(23-11-20(28)2-3-24(23)29)34-27-26(22)31-6-7-32-27/h2-3,6-7,10-16,21H,4-5,8-9H2,1H3
InChIKeyIOGGWEUGPFLTNB-UHFFFAOYSA-N
MW500.00 g/mol
LogP3.80
Rot. Bonds4

About 6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine

6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine (PubChem CID 60199131) has the molecular formula C27H23ClFN7 and a molecular weight of 500.00 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine
PubChem CID60199131
Molecular FormulaC27H23ClFN7
Molecular Weight500.00 g/mol
Exact Mass499.17
IUPAC Name6-(5-chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine
SMILESCN1CCC(CC1)N2C=C(C=N2)C3=CN=CC(=C3)C4=CC(=NC5=NC=CN=C45)C6=C(C=CC(=C6)Cl)F
InChIInChI=1S/C27H23ClFN7/c1-35-8-4-21(5-9-35)36-16-19(15-33-36)17-10-18(14-30-13-17)22-12-25(23-11-20(28)2-3-24(23)29)34-27-26(22)31-6-7-32-27/h2-3,6-7,10-16,21H,4-5,8-9H2,1H3
InChIKeyIOGGWEUGPFLTNB-UHFFFAOYSA-N
XLogP3.80
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity724

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500500.00
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine?
The IUPAC name of 6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine (CID 60199131) is 6-(5-chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine?
The canonical SMILES for 6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine is CN1CCC(CC1)N2C=C(C=N2)C3=CN=CC(=C3)C4=CC(=NC5=NC=CN=C45)C6=C(C=CC(=C6)Cl)F.
What is the InChIKey of 6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine?
The InChIKey is IOGGWEUGPFLTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN7/c1-35-8-4-21(5-9-35)36-16-19(15-33-36)17-10-18(14-30-13-17)22-12-25(23-11-20(28)2-3-24(23)29)34-27-26(22)31-6-7-32-27/h2-3,6-7,10-16,21H,4-5,8-9H2,1H3.
What are the key properties of 6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine?
6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine has a molecular weight of 500.00 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-Chloro-2-fluorophenyl)-8-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 60199131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).