N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide

C37H38Cl2N10O4S2 — CID 138627189

IUPACN-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide
SMILESCCCc1cc(-n2cc(-c3ncc(NS(C)(=O)=O)cc3Cl)cn2)cc(-c2cc(-n3cc(-c4ncc(NS(=O)(=O)CC5CC5)cc4Cl)cn3)cc(CCC)n2)n1
InChIInChI=1S/C37H38Cl2N10O4S2/c1-4-6-26-10-30(48-20-24(16-42-48)36-32(38)12-28(18-40-36)46-54(3,50)51)14-34(44-26)35-15-31(11-27(45-35)7-5-2)49-21-25(17-43-49)37-33(39)13-29(19-41-37)47-55(52,53)22-23-8-9-23/h10-21,23,46-47H,4-9,22H2,1-3H3
InChIKeyMEIQDHIADLKJLR-UHFFFAOYSA-N
MW821.82 g/mol
LogP7.37
Rot. Bonds15

About N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide

N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide (PubChem CID 138627189) has the molecular formula C37H38Cl2N10O4S2 and a molecular weight of 821.82 g/mol. Its IUPAC name is N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide
PubChem CID138627189
Molecular FormulaC37H38Cl2N10O4S2
Molecular Weight821.82 g/mol
Exact Mass820.19
IUPAC NameN-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide
SMILESCCCc1cc(-n2cc(-c3ncc(NS(C)(=O)=O)cc3Cl)cn2)cc(-c2cc(-n3cc(-c4ncc(NS(=O)(=O)CC5CC5)cc4Cl)cn3)cc(CCC)n2)n1
InChIInChI=1S/C37H38Cl2N10O4S2/c1-4-6-26-10-30(48-20-24(16-42-48)36-32(38)12-28(18-40-36)46-54(3,50)51)14-34(44-26)35-15-31(11-27(45-35)7-5-2)49-21-25(17-43-49)37-33(39)13-29(19-41-37)47-55(52,53)22-23-8-9-23/h10-21,23,46-47H,4-9,22H2,1-3H3
InChIKeyMEIQDHIADLKJLR-UHFFFAOYSA-N
XLogP7.37
TPSA179.54 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500821.82
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide (CID 138627189) is N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide is CCCc1cc(-n2cc(-c3ncc(NS(C)(=O)=O)cc3Cl)cn2)cc(-c2cc(-n3cc(-c4ncc(NS(=O)(=O)CC5CC5)cc4Cl)cn3)cc(CCC)n2)n1.
What is the InChIKey of N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is MEIQDHIADLKJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38Cl2N10O4S2/c1-4-6-26-10-30(48-20-24(16-42-48)36-32(38)12-28(18-40-36)46-54(3,50)51)14-34(44-26)35-15-31(11-27(45-35)7-5-2)49-21-25(17-43-49)37-33(39)13-29(19-41-37)47-55(52,53)22-23-8-9-23/h10-21,23,46-47H,4-9,22H2,1-3H3.
What are the key properties of N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide?
N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 821.82 g/mol, XLogP of 7.37, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-[1-[2-[4-[4-[3-chloro-5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 138627189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).