N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide

C23H23ClF2N6O2S — CID 123850216

IUPACN-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide
SMILESCc1nc(C(N)Cc2cc(F)cc(F)c2)c(-c2ccc(Cl)c3c(NS(C)(=O)=O)nn(C)c23)cc1N
InChIInChI=1S/C23H23ClF2N6O2S/c1-11-18(27)10-16(21(29-11)19(28)8-12-6-13(25)9-14(26)7-12)15-4-5-17(24)20-22(15)32(2)30-23(20)31-35(3,33)34/h4-7,9-10,19H,8,27-28H2,1-3H3,(H,30,31)
InChIKeyHZPPBXAENLLUNU-UHFFFAOYSA-N
MW520.99 g/mol
LogP4.07
Rot. Bonds6

About N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide

N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide (PubChem CID 123850216) has the molecular formula C23H23ClF2N6O2S and a molecular weight of 520.99 g/mol. Its IUPAC name is N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide
PubChem CID123850216
Molecular FormulaC23H23ClF2N6O2S
Molecular Weight520.99 g/mol
Exact Mass520.13
IUPAC NameN-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide
SMILESCc1nc(C(N)Cc2cc(F)cc(F)c2)c(-c2ccc(Cl)c3c(NS(C)(=O)=O)nn(C)c23)cc1N
InChIInChI=1S/C23H23ClF2N6O2S/c1-11-18(27)10-16(21(29-11)19(28)8-12-6-13(25)9-14(26)7-12)15-4-5-17(24)20-22(15)32(2)30-23(20)31-35(3,33)34/h4-7,9-10,19H,8,27-28H2,1-3H3,(H,30,31)
InChIKeyHZPPBXAENLLUNU-UHFFFAOYSA-N
XLogP4.07
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.99
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide?
The IUPAC name of N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide (CID 123850216) is N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide is Cc1nc(C(N)Cc2cc(F)cc(F)c2)c(-c2ccc(Cl)c3c(NS(C)(=O)=O)nn(C)c23)cc1N.
What is the InChIKey of N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide?
The InChIKey is HZPPBXAENLLUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N6O2S/c1-11-18(27)10-16(21(29-11)19(28)8-12-6-13(25)9-14(26)7-12)15-4-5-17(24)20-22(15)32(2)30-23(20)31-35(3,33)34/h4-7,9-10,19H,8,27-28H2,1-3H3,(H,30,31).
What are the key properties of N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide?
N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide has a molecular weight of 520.99 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[5-amino-2-[1-amino-2-(3,5-difluorophenyl)ethyl]-6-methyl-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide is sourced from PubChem (CID 123850216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).