1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide

C19H14FN5O2S — CID 86687658

IUPAC1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
SMILESCc1cnc(F)c(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c1
InChIInChI=1S/C19H14FN5O2S/c1-12-8-16(19(20)23-10-12)18-15-3-2-14(9-13(15)4-7-22-18)28(26,27)25-17-5-6-21-11-24-17/h2-11H,1H3,(H,21,24,25)
InChIKeyMPHUBRDFKGLITG-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.34
Rot. Bonds4

About 1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide

1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide (PubChem CID 86687658) has the molecular formula C19H14FN5O2S and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
PubChem CID86687658
Molecular FormulaC19H14FN5O2S
Molecular Weight395.42 g/mol
Exact Mass395.09
IUPAC Name1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
SMILESCc1cnc(F)c(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c1
InChIInChI=1S/C19H14FN5O2S/c1-12-8-16(19(20)23-10-12)18-15-3-2-14(9-13(15)4-7-22-18)28(26,27)25-17-5-6-21-11-24-17/h2-11H,1H3,(H,21,24,25)
InChIKeyMPHUBRDFKGLITG-UHFFFAOYSA-N
XLogP3.34
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
CID 16750106
1-Guanidino-7-phenylsulphamoylisoquinoline
CID 16658631
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
5-{3-[(4-{3-[4-(1-Methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
CID 56955955
US10167270, Example 26
CID 25708371
N-(2-chloro-5-(1,8-naphthyridin-3-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44610008
4-[[[6-(6-Fluoro-3-pyridyl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 49773659
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]naphthalene-2-sulfonamide
CID 57399592
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,4-difluorobenzenesulfonamide
CID 118321328
(1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 142424020
N-[5-[2-[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 60141614

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The IUPAC name of 1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide (CID 86687658) is 1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide.
What is the SMILES notation for 1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The canonical SMILES for 1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide is Cc1cnc(F)c(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c1.
What is the InChIKey of 1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
The InChIKey is MPHUBRDFKGLITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2S/c1-12-8-16(19(20)23-10-12)18-15-3-2-14(9-13(15)4-7-22-18)28(26,27)25-17-5-6-21-11-24-17/h2-11H,1H3,(H,21,24,25).
What are the key properties of 1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide?
1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide has a molecular weight of 395.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methyl-3-pyridinyl)-N-pyrimidin-4-ylisoquinoline-6-sulfonamide is sourced from PubChem (CID 86687658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).