4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide

C49H34N18O2 — CID 137387593

IUPAC4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
SMILESCc1cnc(-c2cc3[nH]c(C(=O)Nc4ccnnc4)cc3cc2-c2cc(-c3ccnc(Nc4ccc5cn[nH]c5c4)n3)cc3[nH]c(C(=O)Nc4ccnnc4)cc23)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C49H34N18O2/c1-25-20-51-46(65-45(25)58-30-4-5-39-29(12-30)22-57-66-39)37-19-40-28(16-43(62-40)47(68)59-32-6-10-52-54-23-32)14-35(37)34-13-27(15-42-36(34)18-44(63-42)48(69)60-33-7-11-53-55-24-33)38-8-9-50-49(64-38)61-31-3-2-26-21-56-67-41(26)17-31/h2-24,62-63H,1H3,(H,56,67)(H,57,66)(H,50,61,64)(H,51,58,65)(H,52,59,68)(H,53,60,69)
InChIKeyYNNZBGPQPIQVLW-UHFFFAOYSA-N
MW906.94 g/mol
LogP8.86
Rot. Bonds11

About 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide

4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide (PubChem CID 137387593) has the molecular formula C49H34N18O2 and a molecular weight of 906.94 g/mol. Its IUPAC name is 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
PubChem CID137387593
Molecular FormulaC49H34N18O2
Molecular Weight906.94 g/mol
Exact Mass906.31
IUPAC Name4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
SMILESCc1cnc(-c2cc3[nH]c(C(=O)Nc4ccnnc4)cc3cc2-c2cc(-c3ccnc(Nc4ccc5cn[nH]c5c4)n3)cc3[nH]c(C(=O)Nc4ccnnc4)cc23)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C49H34N18O2/c1-25-20-51-46(65-45(25)58-30-4-5-39-29(12-30)22-57-66-39)37-19-40-28(16-43(62-40)47(68)59-32-6-10-52-54-23-32)14-35(37)34-13-27(15-42-36(34)18-44(63-42)48(69)60-33-7-11-53-55-24-33)38-8-9-50-49(64-38)61-31-3-2-26-21-56-67-41(26)17-31/h2-24,62-63H,1H3,(H,56,67)(H,57,66)(H,50,61,64)(H,51,58,65)(H,52,59,68)(H,53,60,69)
InChIKeyYNNZBGPQPIQVLW-UHFFFAOYSA-N
XLogP8.86
TPSA274.32 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500906.94
LogP ≤ 58.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The IUPAC name of 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide (CID 137387593) is 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The canonical SMILES for 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide is Cc1cnc(-c2cc3[nH]c(C(=O)Nc4ccnnc4)cc3cc2-c2cc(-c3ccnc(Nc4ccc5cn[nH]c5c4)n3)cc3[nH]c(C(=O)Nc4ccnnc4)cc23)nc1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The InChIKey is YNNZBGPQPIQVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N18O2/c1-25-20-51-46(65-45(25)58-30-4-5-39-29(12-30)22-57-66-39)37-19-40-28(16-43(62-40)47(68)59-32-6-10-52-54-23-32)14-35(37)34-13-27(15-42-36(34)18-44(63-42)48(69)60-33-7-11-53-55-24-33)38-8-9-50-49(64-38)61-31-3-2-26-21-56-67-41(26)17-31/h2-24,62-63H,1H3,(H,56,67)(H,57,66)(H,50,61,64)(H,51,58,65)(H,52,59,68)(H,53,60,69).
What are the key properties of 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide has a molecular weight of 906.94 g/mol, XLogP of 8.86, 11 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]-2-(pyridazin-4-ylcarbamoyl)-1H-indol-5-yl]-6-[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 137387593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).