N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide

C24H26N6O3S — CID 123243661

IUPACN-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide
SMILESCN1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)C5=CCCC=C5)c4)nc23)CC1
InChIInChI=1S/C24H26N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h3,5-8,13-16,19,29H,2,4,9-12H2,1H3
InChIKeyNAGNNBOADKVPMU-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.54
Rot. Bonds6

About N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide

N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide (PubChem CID 123243661) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide
PubChem CID123243661
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC NameN-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide
SMILESCN1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)C5=CCCC=C5)c4)nc23)CC1
InChIInChI=1S/C24H26N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h3,5-8,13-16,19,29H,2,4,9-12H2,1H3
InChIKeyNAGNNBOADKVPMU-UHFFFAOYSA-N
XLogP3.54
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 158977133
N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide
CID 137370841
tert-butyl (3S)-3-(6-chloropyrido[3,2-d]pyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 141379326
tert-butyl (3S)-3-[4-[(5-chloro-3-pyridinyl)amino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidine-1-carboxylate
CID 166538234
[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea
CID 175914079
N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline
CID 166814790
6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90054806
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone
CID 136927299
4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
CID 155595873
[5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine
CID 80920309
5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
CID 80872210
3-[6-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]sulfamoyl]-1-benzofuran-2-yl]propanoic acid
CID 155233708

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide (CID 123243661) is N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide is CN1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)C5=CCCC=C5)c4)nc23)CC1.
What is the InChIKey of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is NAGNNBOADKVPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h3,5-8,13-16,19,29H,2,4,9-12H2,1H3.
What are the key properties of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide?
N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 478.58 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 123243661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).