5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

C28H25N7O3 — CID 89458952

IUPAC5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(NC(=O)N(C)C)c5)cc34)cn2)cc1
InChIInChI=1S/C28H25N7O3/c1-17-4-8-22(9-5-17)38-25-11-7-20(16-30-25)31-27(36)26-23-13-18(6-10-24(23)33-34-26)19-12-21(15-29-14-19)32-28(37)35(2)3/h4-16H,1-3H3,(H,31,36)(H,32,37)(H,33,34)
InChIKeyYDVUXMVDTVQMOJ-UHFFFAOYSA-N
MW507.55 g/mol
LogP5.47
Rot. Bonds6

About 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89458952) has the molecular formula C28H25N7O3 and a molecular weight of 507.55 g/mol. Its IUPAC name is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89458952
Molecular FormulaC28H25N7O3
Molecular Weight507.55 g/mol
Exact Mass507.20
IUPAC Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(NC(=O)N(C)C)c5)cc34)cn2)cc1
InChIInChI=1S/C28H25N7O3/c1-17-4-8-22(9-5-17)38-25-11-7-20(16-30-25)31-27(36)26-23-13-18(6-10-24(23)33-34-26)19-12-21(15-29-14-19)32-28(37)35(2)3/h4-16H,1-3H3,(H,31,36)(H,32,37)(H,33,34)
InChIKeyYDVUXMVDTVQMOJ-UHFFFAOYSA-N
XLogP5.47
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 89459134
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89458344
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450537
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390947
N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458806
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 159975834
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451293
ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 144555272
N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450552
N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382347
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450531
N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 122630495

Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89458952) is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(NC(=O)N(C)C)c5)cc34)cn2)cc1.
What is the InChIKey of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is YDVUXMVDTVQMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O3/c1-17-4-8-22(9-5-17)38-25-11-7-20(16-30-25)31-27(36)26-23-13-18(6-10-24(23)33-34-26)19-12-21(15-29-14-19)32-28(37)35(2)3/h4-16H,1-3H3,(H,31,36)(H,32,37)(H,33,34).
What are the key properties of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 5.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).