2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide

C31H31N9O — CID 135992303

IUPAC2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(C)Cc5cnn(-c6ccccc6)c5)[nH]4)c3c2)c1C
InChIInChI=1S/C31H31N9O/c1-4-32-14-23-15-33-16-26(20(23)2)22-10-11-27-25(12-22)29(38-37-27)30-34-17-28(36-30)31(41)39(3)18-21-13-35-40(19-21)24-8-6-5-7-9-24/h5-13,15-17,19,32H,4,14,18H2,1-3H3,(H,34,36)(H,37,38)
InChIKeyYOKNRMROKDMLDG-UHFFFAOYSA-N
MW545.65 g/mol
LogP4.89
Rot. Bonds9

About 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide

2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 135992303) has the molecular formula C31H31N9O and a molecular weight of 545.65 g/mol. Its IUPAC name is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide
PubChem CID135992303
Molecular FormulaC31H31N9O
Molecular Weight545.65 g/mol
Exact Mass545.27
IUPAC Name2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(C)Cc5cnn(-c6ccccc6)c5)[nH]4)c3c2)c1C
InChIInChI=1S/C31H31N9O/c1-4-32-14-23-15-33-16-26(20(23)2)22-10-11-27-25(12-22)29(38-37-27)30-34-17-28(36-30)31(41)39(3)18-21-13-35-40(19-21)24-8-6-5-7-9-24/h5-13,15-17,19,32H,4,14,18H2,1-3H3,(H,34,36)(H,37,38)
InChIKeyYOKNRMROKDMLDG-UHFFFAOYSA-N
XLogP4.89
TPSA120.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.65
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide
CID 135992170
[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 135992248
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(4-hydroxybutyl)-4-phenyl-1H-imidazole-5-carboxamide
CID 135992201
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
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CID 8810657
6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 55559294
N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine
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CID 31960924
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide (CID 135992303) is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide is CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(C)Cc5cnn(-c6ccccc6)c5)[nH]4)c3c2)c1C.
What is the InChIKey of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is YOKNRMROKDMLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N9O/c1-4-32-14-23-15-33-16-26(20(23)2)22-10-11-27-25(12-22)29(38-37-27)30-34-17-28(36-30)31(41)39(3)18-21-13-35-40(19-21)24-8-6-5-7-9-24/h5-13,15-17,19,32H,4,14,18H2,1-3H3,(H,34,36)(H,37,38).
What are the key properties of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide?
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 545.65 g/mol, XLogP of 4.89, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135992303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).