N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide

C18H15ClN6O3S2 — CID 118321317

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H15ClN6O3S2/c1-9-12-5-10(7-21-16(12)24-18(20)23-9)11-6-13(17(28-2)22-8-11)25-30(26,27)15-4-3-14(19)29-15/h3-8,25H,1-2H3,(H2,20,21,23,24)
InChIKeyBMZYRRJVSQNPFA-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.50
Rot. Bonds5

About N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 118321317) has the molecular formula C18H15ClN6O3S2 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide
PubChem CID118321317
Molecular FormulaC18H15ClN6O3S2
Molecular Weight462.94 g/mol
Exact Mass462.03
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H15ClN6O3S2/c1-9-12-5-10(7-21-16(12)24-18(20)23-9)11-6-13(17(28-2)22-8-11)25-30(26,27)15-4-3-14(19)29-15/h3-8,25H,1-2H3,(H2,20,21,23,24)
InChIKeyBMZYRRJVSQNPFA-UHFFFAOYSA-N
XLogP3.50
TPSA132.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide (CID 118321317) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide is COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is BMZYRRJVSQNPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O3S2/c1-9-12-5-10(7-21-16(12)24-18(20)23-9)11-6-13(17(28-2)22-8-11)25-30(26,27)15-4-3-14(19)29-15/h3-8,25H,1-2H3,(H2,20,21,23,24).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 462.94 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 118321317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).