N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate

C64H70Cl3N15O9S4 — CID 158138737

IUPACN-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate
SMILESCS(=O)(=O)N[C@@H]1CC[C@@H](OS(C)(=O)=O)C1.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)c[nH]c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)cn([C@@H]3CC[C@@H](NS(C)(=O)=O)C3)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)cn([C@@H]3CC[C@H](NS(C)(=O)=O)C3)c2cc1C
InChIInChI=1S/2C21H22ClN5O2S.C15H11ClN4.C7H15NO5S2/c2*1-12-6-20-15(8-19(12)24-2)17(16-9-25-10-18(23)21(16)22)11-27(20)14-5-4-13(7-14)26-30(3,28)29;1-8-3-14-9(4-13(8)18-2)10(6-20-14)11-5-19-7-12(17)15(11)16;1-14(9,10)8-6-3-4-7(5-6)13-15(2,11)12/h2*6,8-11,13-14,26H,4-5,7,23H2,1,3H3;3-7,20H,17H2,1H3;6-8H,3-5H2,1-2H3/t13-,14+;13-,14-;;6-,7-/m01.1/s1
InChIKeyFTRHPTKPYBHZMM-PJZCRIKZSA-N
MW1427.99 g/mol
LogP12.64
Rot. Bonds13

About N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate

N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate (PubChem CID 158138737) has the molecular formula C64H70Cl3N15O9S4 and a molecular weight of 1427.99 g/mol. Its IUPAC name is N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate.

Molecular Properties

Compound NameN-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate
PubChem CID158138737
Molecular FormulaC64H70Cl3N15O9S4
Molecular Weight1427.99 g/mol
Exact Mass1425.34
IUPAC NameN-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate
SMILESCS(=O)(=O)N[C@@H]1CC[C@@H](OS(C)(=O)=O)C1.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)c[nH]c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)cn([C@@H]3CC[C@@H](NS(C)(=O)=O)C3)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)cn([C@@H]3CC[C@H](NS(C)(=O)=O)C3)c2cc1C
InChIInChI=1S/2C21H22ClN5O2S.C15H11ClN4.C7H15NO5S2/c2*1-12-6-20-15(8-19(12)24-2)17(16-9-25-10-18(23)21(16)22)11-27(20)14-5-4-13(7-14)26-30(3,28)29;1-8-3-14-9(4-13(8)18-2)10(6-20-14)11-5-19-7-12(17)15(11)16;1-14(9,10)8-6-3-4-7(5-6)13-15(2,11)12/h2*6,8-11,13-14,26H,4-5,7,23H2,1,3H3;3-7,20H,17H2,1H3;6-8H,3-5H2,1-2H3/t13-,14+;13-,14-;;6-,7-/m01.1/s1
InChIKeyFTRHPTKPYBHZMM-PJZCRIKZSA-N
XLogP12.64
TPSA337.34 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001427.99
LogP ≤ 512.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate?
The IUPAC name of N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate (CID 158138737) is N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate.
What is the SMILES notation for N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate?
The canonical SMILES for N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate is CS(=O)(=O)N[C@@H]1CC[C@@H](OS(C)(=O)=O)C1.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)c[nH]c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)cn([C@@H]3CC[C@@H](NS(C)(=O)=O)C3)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)cn([C@@H]3CC[C@H](NS(C)(=O)=O)C3)c2cc1C.
What is the InChIKey of N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate?
The InChIKey is FTRHPTKPYBHZMM-PJZCRIKZSA-N. The full InChI is InChI=1S/2C21H22ClN5O2S.C15H11ClN4.C7H15NO5S2/c2*1-12-6-20-15(8-19(12)24-2)17(16-9-25-10-18(23)21(16)22)11-27(20)14-5-4-13(7-14)26-30(3,28)29;1-8-3-14-9(4-13(8)18-2)10(6-20-14)11-5-19-7-12(17)15(11)16;1-14(9,10)8-6-3-4-7(5-6)13-15(2,11)12/h2*6,8-11,13-14,26H,4-5,7,23H2,1,3H3;3-7,20H,17H2,1H3;6-8H,3-5H2,1-2H3/t13-,14+;13-,14-;;6-,7-/m01.1/s1.
What are the key properties of N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate?
N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate has a molecular weight of 1427.99 g/mol, XLogP of 12.64, 13 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;N-[(1S,3R)-3-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclopentyl]methanesulfonamide;4-chloro-5-(5-isocyano-6-methyl-1H-indol-3-yl)pyridin-3-amine;[(1R,3R)-3-(methanesulfonamido)cyclopentyl] methanesulfonate is sourced from PubChem (CID 158138737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).