6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

C26H28ClN7O — CID 117075597

IUPAC6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2ccc(-n3ncc4cc(Nc5ccccc5Cl)ccc43)nc2)CC1
InChIInChI=1S/C26H28ClN7O/c1-32-12-14-33(15-13-32)11-10-28-26(35)19-6-9-25(29-17-19)34-24-8-7-21(16-20(24)18-30-34)31-23-5-3-2-4-22(23)27/h2-9,16-18,31H,10-15H2,1H3,(H,28,35)
InChIKeyDDMMPKGSFLJZSC-UHFFFAOYSA-N
MW490.01 g/mol
LogP3.79
Rot. Bonds7

About 6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 117075597) has the molecular formula C26H28ClN7O and a molecular weight of 490.01 g/mol. Its IUPAC name is 6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID117075597
Molecular FormulaC26H28ClN7O
Molecular Weight490.01 g/mol
Exact Mass489.20
IUPAC Name6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2ccc(-n3ncc4cc(Nc5ccccc5Cl)ccc43)nc2)CC1
InChIInChI=1S/C26H28ClN7O/c1-32-12-14-33(15-13-32)11-10-28-26(35)19-6-9-25(29-17-19)34-24-8-7-21(16-20(24)18-30-34)31-23-5-3-2-4-22(23)27/h2-9,16-18,31H,10-15H2,1H3,(H,28,35)
InChIKeyDDMMPKGSFLJZSC-UHFFFAOYSA-N
XLogP3.79
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[5-(2-chloroanilino)indazol-1-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117075645
6-[5-(2-chloroanilino)indazol-1-yl]-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117075598
2-[5-(3-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117075528
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71602771
[3-[5-(2-chloroanilino)indazol-1-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117076290
4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71602865
N-(2-morpholin-4-ylethyl)-2-[5-(pyridin-3-ylamino)indazol-1-yl]pyridine-4-carboxamide
CID 117075458
4-[5-(2-chloroanilino)indazol-1-yl]-N-[1-(trideuteriomethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 166011989
3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117075307
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
4-[6-(azepan-1-yl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 53149949
2-[[5-chloro-2-[[3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]pyrimidin-4-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 66830286

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (CID 117075597) is 6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is CN1CCN(CCNC(=O)c2ccc(-n3ncc4cc(Nc5ccccc5Cl)ccc43)nc2)CC1.
What is the InChIKey of 6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is DDMMPKGSFLJZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O/c1-32-12-14-33(15-13-32)11-10-28-26(35)19-6-9-25(29-17-19)34-24-8-7-21(16-20(24)18-30-34)31-23-5-3-2-4-22(23)27/h2-9,16-18,31H,10-15H2,1H3,(H,28,35).
What are the key properties of 6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 490.01 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-chloroanilino)indazol-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 117075597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).