6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide

C26H22N10O — CID 137387756

IUPAC6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
SMILESCN(C)c1n[nH]c2ccc(Nc3ccnc(-c4ccc5cc(C(=O)Nc6ccnnc6)[nH]c5c4)n3)cc12
InChIInChI=1S/C26H22N10O/c1-36(2)25-19-13-17(5-6-20(19)34-35-25)30-23-8-9-27-24(33-23)16-4-3-15-11-22(32-21(15)12-16)26(37)31-18-7-10-28-29-14-18/h3-14,32H,1-2H3,(H,34,35)(H,27,30,33)(H,28,31,37)
InChIKeyRVILXFLPDFWIOP-UHFFFAOYSA-N
MW490.53 g/mol
LogP4.35
Rot. Bonds6

About 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide

6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide (PubChem CID 137387756) has the molecular formula C26H22N10O and a molecular weight of 490.53 g/mol. Its IUPAC name is 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
PubChem CID137387756
Molecular FormulaC26H22N10O
Molecular Weight490.53 g/mol
Exact Mass490.20
IUPAC Name6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
SMILESCN(C)c1n[nH]c2ccc(Nc3ccnc(-c4ccc5cc(C(=O)Nc6ccnnc6)[nH]c5c4)n3)cc12
InChIInChI=1S/C26H22N10O/c1-36(2)25-19-13-17(5-6-20(19)34-35-25)30-23-8-9-27-24(33-23)16-4-3-15-11-22(32-21(15)12-16)26(37)31-18-7-10-28-29-14-18/h3-14,32H,1-2H3,(H,34,35)(H,27,30,33)(H,28,31,37)
InChIKeyRVILXFLPDFWIOP-UHFFFAOYSA-N
XLogP4.35
TPSA140.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The IUPAC name of 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide (CID 137387756) is 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide is CN(C)c1n[nH]c2ccc(Nc3ccnc(-c4ccc5cc(C(=O)Nc6ccnnc6)[nH]c5c4)n3)cc12.
What is the InChIKey of 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The InChIKey is RVILXFLPDFWIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N10O/c1-36(2)25-19-13-17(5-6-20(19)34-35-25)30-23-8-9-27-24(33-23)16-4-3-15-11-22(32-21(15)12-16)26(37)31-18-7-10-28-29-14-18/h3-14,32H,1-2H3,(H,34,35)(H,27,30,33)(H,28,31,37).
What are the key properties of 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 137387756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).