3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

C16H12ClF2N5O — CID 175083383

IUPAC3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ccc[nH]2)c(Cl)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C16H12ClF2N5O/c17-14-12(11-5-2-6-21-11)24-15(20)13(23-14)16(25)22-7-8-9(18)3-1-4-10(8)19/h1-6,21H,7H2,(H2,20,24)(H,22,25)
InChIKeyAOHWBOMXKDFSHP-UHFFFAOYSA-N
MW363.76 g/mol
LogP2.92
Rot. Bonds4

About 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 175083383) has the molecular formula C16H12ClF2N5O and a molecular weight of 363.76 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
PubChem CID175083383
Molecular FormulaC16H12ClF2N5O
Molecular Weight363.76 g/mol
Exact Mass363.07
IUPAC Name3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ccc[nH]2)c(Cl)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C16H12ClF2N5O/c17-14-12(11-5-2-6-21-11)24-15(20)13(23-14)16(25)22-7-8-9(18)3-1-4-10(8)19/h1-6,21H,7H2,(H2,20,24)(H,22,25)
InChIKeyAOHWBOMXKDFSHP-UHFFFAOYSA-N
XLogP2.92
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678730
3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678684
3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678679
3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678666
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 155209351
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 146380235
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678705
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazol-3-amine
CID 137177816
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 175083383) is 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is Nc1nc(-c2ccc[nH]2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.
What is the InChIKey of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The InChIKey is AOHWBOMXKDFSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N5O/c17-14-12(11-5-2-6-21-11)24-15(20)13(23-14)16(25)22-7-8-9(18)3-1-4-10(8)19/h1-6,21H,7H2,(H2,20,24)(H,22,25).
What are the key properties of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 363.76 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 175083383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).