6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide

C16H18ClN7O3S — CID 118440658

IUPAC6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide
SMILESCC(C)Cn1c(=O)c(NCc2ccc(S(N)(=O)=O)cn2)nc2cnc(Cl)nc21
InChIInChI=1S/C16H18ClN7O3S/c1-9(2)8-24-14-12(7-21-16(17)23-14)22-13(15(24)25)20-5-10-3-4-11(6-19-10)28(18,26)27/h3-4,6-7,9H,5,8H2,1-2H3,(H,20,22)(H2,18,26,27)
InChIKeyKXSIBCJWMGPRCS-UHFFFAOYSA-N
MW423.89 g/mol
LogP1.15
Rot. Bonds6

About 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide

6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide (PubChem CID 118440658) has the molecular formula C16H18ClN7O3S and a molecular weight of 423.89 g/mol. Its IUPAC name is 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide
PubChem CID118440658
Molecular FormulaC16H18ClN7O3S
Molecular Weight423.89 g/mol
Exact Mass423.09
IUPAC Name6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide
SMILESCC(C)Cn1c(=O)c(NCc2ccc(S(N)(=O)=O)cn2)nc2cnc(Cl)nc21
InChIInChI=1S/C16H18ClN7O3S/c1-9(2)8-24-14-12(7-21-16(17)23-14)22-13(15(24)25)20-5-10-3-4-11(6-19-10)28(18,26)27/h3-4,6-7,9H,5,8H2,1-2H3,(H,20,22)(H2,18,26,27)
InChIKeyKXSIBCJWMGPRCS-UHFFFAOYSA-N
XLogP1.15
TPSA145.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.89
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide
CID 145285773
2-chloro-8-[(1R)-1-cyclopropylethyl]-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]pteridin-7-one
CID 118440613
2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one
CID 118440694
8-butan-2-yl-2-chloro-6-[(4-methylsulfonylphenyl)methylamino]pteridin-7-one
CID 118440569
6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide
CID 156538991
2-(2-amino-4-propan-2-ylpyrimidin-5-yl)-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-methylpteridin-7-one
CID 118440470
2-chloro-8-[(1S)-1-cyclopropylethyl]-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-4-methylpteridin-7-one
CID 140928001
2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-8-ethyl-6-[(5-methylsulfonyl-2-pyridinyl)methylamino]pteridin-7-one
CID 138713976
1-[2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-7-oxopteridin-8-yl]cyclopropane-1-carbonitrile
CID 138712932
2-(2-amino-4-cyclopropyl-6-ethylpyrimidin-5-yl)-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-propan-2-ylpteridin-7-one
CID 118440546
8-butan-2-yl-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-2-(4-propan-2-ylpyrimidin-5-yl)pteridin-7-one
CID 123600073
6-bromo-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one
CID 154986740

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide (CID 118440658) is 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide is CC(C)Cn1c(=O)c(NCc2ccc(S(N)(=O)=O)cn2)nc2cnc(Cl)nc21.
What is the InChIKey of 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide?
The InChIKey is KXSIBCJWMGPRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7O3S/c1-9(2)8-24-14-12(7-21-16(17)23-14)22-13(15(24)25)20-5-10-3-4-11(6-19-10)28(18,26)27/h3-4,6-7,9H,5,8H2,1-2H3,(H,20,22)(H2,18,26,27).
What are the key properties of 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide?
6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide has a molecular weight of 423.89 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 118440658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).