4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide

C47H39N9O3 — CID 123422168

IUPAC4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)NCc2ccc3ccc(Cc4cnn(C(=O)NCc5ccc6ccc(-c7cnn(C(=O)NCc8ccc9ccccc9c8)c7)cc6c5)c4)cc3c2)c1
InChIInChI=1S/C47H39N9O3/c1-31-22-51-54(28-31)45(57)48-24-34-8-12-38-10-6-32(17-42(38)19-34)16-36-26-52-55(29-36)46(58)49-25-35-9-13-39-14-15-41(21-43(39)20-35)44-27-53-56(30-44)47(59)50-23-33-7-11-37-4-2-3-5-40(37)18-33/h2-15,17-22,26-30H,16,23-25H2,1H3,(H,48,57)(H,49,58)(H,50,59)
InChIKeyLLJRPEXPGKMXNX-UHFFFAOYSA-N
MW777.89 g/mol
LogP8.58
Rot. Bonds9

About 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide

4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide (PubChem CID 123422168) has the molecular formula C47H39N9O3 and a molecular weight of 777.89 g/mol. Its IUPAC name is 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide
PubChem CID123422168
Molecular FormulaC47H39N9O3
Molecular Weight777.89 g/mol
Exact Mass777.32
IUPAC Name4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)NCc2ccc3ccc(Cc4cnn(C(=O)NCc5ccc6ccc(-c7cnn(C(=O)NCc8ccc9ccccc9c8)c7)cc6c5)c4)cc3c2)c1
InChIInChI=1S/C47H39N9O3/c1-31-22-51-54(28-31)45(57)48-24-34-8-12-38-10-6-32(17-42(38)19-34)16-36-26-52-55(29-36)46(58)49-25-35-9-13-39-14-15-41(21-43(39)20-35)44-27-53-56(30-44)47(59)50-23-33-7-11-37-4-2-3-5-40(37)18-33/h2-15,17-22,26-30H,16,23-25H2,1H3,(H,48,57)(H,49,58)(H,50,59)
InChIKeyLLJRPEXPGKMXNX-UHFFFAOYSA-N
XLogP8.58
TPSA140.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.89
LogP ≤ 58.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide with MolForge

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Related Compounds

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CID 118709050
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CID 71865708
N-[(4-methoxyphenyl)methyl]-6-naphthalen-2-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164616105
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
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N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 46092588
5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
CID 25225135
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
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CID 54357597
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CID 75402959
N-[(3-methylphenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxamide
CID 154815387

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide?
The IUPAC name of 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide (CID 123422168) is 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide?
The canonical SMILES for 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide is Cc1cnn(C(=O)NCc2ccc3ccc(Cc4cnn(C(=O)NCc5ccc6ccc(-c7cnn(C(=O)NCc8ccc9ccccc9c8)c7)cc6c5)c4)cc3c2)c1.
What is the InChIKey of 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide?
The InChIKey is LLJRPEXPGKMXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N9O3/c1-31-22-51-54(28-31)45(57)48-24-34-8-12-38-10-6-32(17-42(38)19-34)16-36-26-52-55(29-36)46(58)49-25-35-9-13-39-14-15-41(21-43(39)20-35)44-27-53-56(30-44)47(59)50-23-33-7-11-37-4-2-3-5-40(37)18-33/h2-15,17-22,26-30H,16,23-25H2,1H3,(H,48,57)(H,49,58)(H,50,59).
What are the key properties of 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide?
4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide has a molecular weight of 777.89 g/mol, XLogP of 8.58, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[7-[[1-[[7-[1-(naphthalen-2-ylmethylcarbamoyl)pyrazol-4-yl]naphthalen-2-yl]methylcarbamoyl]pyrazol-4-yl]methyl]naphthalen-2-yl]methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 123422168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).