6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide

C25H19N9O — CID 137369555

IUPAC6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccnnc2)cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc21
InChIInChI=1S/C25H19N9O/c1-34-21-12-16(3-2-15(21)11-22(34)25(35)31-19-6-9-27-28-14-19)24-26-8-7-23(32-24)30-18-4-5-20-17(10-18)13-29-33-20/h2-14H,1H3,(H,29,33)(H,26,30,32)(H,27,31,35)
InChIKeyIULQJJBCLQIQJM-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.30
Rot. Bonds5

About 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide

6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide (PubChem CID 137369555) has the molecular formula C25H19N9O and a molecular weight of 461.49 g/mol. Its IUPAC name is 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide.

Molecular Properties

Compound Name6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide
PubChem CID137369555
Molecular FormulaC25H19N9O
Molecular Weight461.49 g/mol
Exact Mass461.17
IUPAC Name6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccnnc2)cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc21
InChIInChI=1S/C25H19N9O/c1-34-21-12-16(3-2-15(21)11-22(34)25(35)31-19-6-9-27-28-14-19)24-26-8-7-23(32-24)30-18-4-5-20-17(10-18)13-29-33-20/h2-14H,1H3,(H,29,33)(H,26,30,32)(H,27,31,35)
InChIKeyIULQJJBCLQIQJM-UHFFFAOYSA-N
XLogP4.30
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide?
The IUPAC name of 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide (CID 137369555) is 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide.
What is the SMILES notation for 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide?
The canonical SMILES for 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide is Cn1c(C(=O)Nc2ccnnc2)cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc21.
What is the InChIKey of 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide?
The InChIKey is IULQJJBCLQIQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N9O/c1-34-21-12-16(3-2-15(21)11-22(34)25(35)31-19-6-9-27-28-14-19)24-26-8-7-23(32-24)30-18-4-5-20-17(10-18)13-29-33-20/h2-14H,1H3,(H,29,33)(H,26,30,32)(H,27,31,35).
What are the key properties of 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide?
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide is sourced from PubChem (CID 137369555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).