methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate

C23H27ClN4O2 — CID 10025519

IUPACmethyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCC(NCc2cc(/C=C\c3cn(C)c4ccc(Cl)cc34)n[nH]2)C1
InChIInChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6-
InChIKeySITXHAVZQRLLMP-VURMDHGXSA-N
MW426.95 g/mol
LogP4.55
Rot. Bonds6

About methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate

methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate (PubChem CID 10025519) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate
PubChem CID10025519
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Namemethyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCC(NCc2cc(/C=C\c3cn(C)c4ccc(Cl)cc34)n[nH]2)C1
InChIInChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6-
InChIKeySITXHAVZQRLLMP-VURMDHGXSA-N
XLogP4.55
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 3-[[3-[(E)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate
CID 44329172
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetamide
CID 60176049
3-[3-[(5-chloro-1H-indol-3-yl)methyl]pyrazol-1-yl]cyclobutane-1-carboxylic acid
CID 177663830
US20250346616, Example 89
CID 175994858
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 46979261
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 145892698
2-(5-chloro-2H-indazol-3-yl)butanoic acid;4-(1H-indol-3-yl)butanoic acid
CID 67095305
2-(5-chloro-2H-indazol-3-yl)-2-ethyl-4-(1H-indol-3-yl)hexanedioic acid
CID 67095306
5-chloro-3-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-4-yl]-1H-indole;oxalic acid
CID 67758980
3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 69407884
methyl (5R)-6-(methylamino)-5-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]hexanoate
CID 69621090
methyl 2-[(5-chloro-2H-indazol-3-yl)methylamino]-2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 118212371

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate (CID 10025519) is methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate is COC(=O)C1CCCC(NCc2cc(/C=C\c3cn(C)c4ccc(Cl)cc34)n[nH]2)C1.
What is the InChIKey of methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate?
The InChIKey is SITXHAVZQRLLMP-VURMDHGXSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6-.
What are the key properties of methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate?
methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate has a molecular weight of 426.95 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[(Z)-2-(5-chloro-1-methylindol-3-yl)ethenyl]-1H-pyrazol-5-yl]methylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 10025519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).