N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride

C22H26Cl2N6O2S — CID 66863849

IUPACN-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCc2ncc3c(n2)C(C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1
InChIInChI=1S/C22H25ClN6O2S.ClH/c1-29-14-18(12-26-29)32(30,31)27-13-19-25-11-15-7-10-24-21(20(15)28-19)22(8-2-9-22)16-3-5-17(23)6-4-16;/h3-6,11-12,14,21,24,27H,2,7-10,13H2,1H3;1H
InChIKeyXARBCMYPTYUKGZ-UHFFFAOYSA-N
MW509.46 g/mol
LogP3.07
Rot. Bonds6

About N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride

N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 66863849) has the molecular formula C22H26Cl2N6O2S and a molecular weight of 509.46 g/mol. Its IUPAC name is N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
PubChem CID66863849
Molecular FormulaC22H26Cl2N6O2S
Molecular Weight509.46 g/mol
Exact Mass508.12
IUPAC NameN-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCc2ncc3c(n2)C(C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1
InChIInChI=1S/C22H25ClN6O2S.ClH/c1-29-14-18(12-26-29)32(30,31)27-13-19-25-11-15-7-10-24-21(20(15)28-19)22(8-2-9-22)16-3-5-17(23)6-4-16;/h3-6,11-12,14,21,24,27H,2,7-10,13H2,1H3;1H
InChIKeyXARBCMYPTYUKGZ-UHFFFAOYSA-N
XLogP3.07
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride (CID 66863849) is N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)NCc2ncc3c(n2)C(C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1.
What is the InChIKey of N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is XARBCMYPTYUKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2S.ClH/c1-29-14-18(12-26-29)32(30,31)27-13-19-25-11-15-7-10-24-21(20(15)28-19)22(8-2-9-22)16-3-5-17(23)6-4-16;/h3-6,11-12,14,21,24,27H,2,7-10,13H2,1H3;1H.
What are the key properties of N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 509.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[1-(4-chlorophenyl)cyclobutyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 66863849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).