N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide

C21H16ClFN6O — CID 71010166

IUPACN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1
InChIInChI=1S/C21H16ClFN6O/c1-12-16(7-24-8-18(12)23)21(30)28-20-10-25-19(9-26-20)15-5-13(3-4-17(15)22)14-6-27-29(2)11-14/h3-11H,1-2H3,(H,26,28,30)
InChIKeyOCUBPPZNFSDYML-UHFFFAOYSA-N
MW422.85 g/mol
LogP4.29
Rot. Bonds4

About N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 71010166) has the molecular formula C21H16ClFN6O and a molecular weight of 422.85 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID71010166
Molecular FormulaC21H16ClFN6O
Molecular Weight422.85 g/mol
Exact Mass422.11
IUPAC NameN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1
InChIInChI=1S/C21H16ClFN6O/c1-12-16(7-24-8-18(12)23)21(30)28-20-10-25-19(9-26-20)15-5-13(3-4-17(15)22)14-6-27-29(2)11-14/h3-11H,1-2H3,(H,26,28,30)
InChIKeyOCUBPPZNFSDYML-UHFFFAOYSA-N
XLogP4.29
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.85
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 71010166) is N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is Cc1c(F)cncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is OCUBPPZNFSDYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN6O/c1-12-16(7-24-8-18(12)23)21(30)28-20-10-25-19(9-26-20)15-5-13(3-4-17(15)22)14-6-27-29(2)11-14/h3-11H,1-2H3,(H,26,28,30).
What are the key properties of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 422.85 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).