N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide

C49H40ClF4N17O3S — CID 177368093

IUPACN-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide
SMILESCn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2Cn2cnnc2-c2cnn(C)c2-c2cc(NS(C)(=O)=O)nc(-n3cc(-c4nc(N)ccc4Cl)cn3)c2)cc(-n2cc(-c3nc(CO)ccc3C(F)(F)F)cn2)c1
InChIInChI=1S/C49H40ClF4N17O3S/c1-67-24-56-64-47(67)37-16-32(51)4-6-35(37)26-10-27(12-34(11-26)70-21-30(17-59-70)44-39(49(52,53)54)7-5-33(23-72)61-44)36-13-29(36)20-69-25-57-65-48(69)38-19-58-68(2)46(38)28-14-42(66-75(3,73)74)63-43(15-28)71-22-31(18-60-71)45-40(50)8-9-41(55)62-45/h4-12,14-19,21-22,24-25,29,36,72H,13,20,23H2,1-3H3,(H2,55,62)(H,63,66)
InChIKeyYZVBSGLNFCOGSM-UHFFFAOYSA-N
MW1058.49 g/mol
LogP7.76
Rot. Bonds14

About N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide

N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 177368093) has the molecular formula C49H40ClF4N17O3S and a molecular weight of 1058.49 g/mol. Its IUPAC name is N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide
PubChem CID177368093
Molecular FormulaC49H40ClF4N17O3S
Molecular Weight1058.49 g/mol
Exact Mass1057.28
IUPAC NameN-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide
SMILESCn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2Cn2cnnc2-c2cnn(C)c2-c2cc(NS(C)(=O)=O)nc(-n3cc(-c4nc(N)ccc4Cl)cn3)c2)cc(-n2cc(-c3nc(CO)ccc3C(F)(F)F)cn2)c1
InChIInChI=1S/C49H40ClF4N17O3S/c1-67-24-56-64-47(67)37-16-32(51)4-6-35(37)26-10-27(12-34(11-26)70-21-30(17-59-70)44-39(49(52,53)54)7-5-33(23-72)61-44)36-13-29(36)20-69-25-57-65-48(69)38-19-58-68(2)46(38)28-14-42(66-75(3,73)74)63-43(15-28)71-22-31(18-60-71)45-40(50)8-9-41(55)62-45/h4-12,14-19,21-22,24-25,29,36,72H,13,20,23H2,1-3H3,(H2,55,62)(H,63,66)
InChIKeyYZVBSGLNFCOGSM-UHFFFAOYSA-N
XLogP7.76
TPSA245.97 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001058.49
LogP ≤ 57.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide 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

[5-Chloro-6-[1-[6-[2-[5-[2-[2-[4-[3-chloro-6-[(cyclopropylamino)methyl]-2-pyridinyl]pyrazol-1-yl]-6-cyclopropyl-4-pyridinyl]-5-fluorophenyl]-4-methyl-1,2,4-triazol-3-yl]cyclopropyl]-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-2-pyridinyl]methanol
CID 177367848

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide (CID 177368093) is N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide is Cn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2Cn2cnnc2-c2cnn(C)c2-c2cc(NS(C)(=O)=O)nc(-n3cc(-c4nc(N)ccc4Cl)cn3)c2)cc(-n2cc(-c3nc(CO)ccc3C(F)(F)F)cn2)c1.
What is the InChIKey of N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is YZVBSGLNFCOGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40ClF4N17O3S/c1-67-24-56-64-47(67)37-16-32(51)4-6-35(37)26-10-27(12-34(11-26)70-21-30(17-59-70)44-39(49(52,53)54)7-5-33(23-72)61-44)36-13-29(36)20-69-25-57-65-48(69)38-19-58-68(2)46(38)28-14-42(66-75(3,73)74)63-43(15-28)71-22-31(18-60-71)45-40(50)8-9-41(55)62-45/h4-12,14-19,21-22,24-25,29,36,72H,13,20,23H2,1-3H3,(H2,55,62)(H,63,66).
What are the key properties of N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide?
N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 1058.49 g/mol, XLogP of 7.76, 14 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(6-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]-4-[4-[4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-[4-[6-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]phenyl]cyclopropyl]methyl]-1,2,4-triazol-3-yl]-1-methylpyrazol-5-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 177368093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).