2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid

C20H15N7O2 — CID 59024137

IUPAC2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid
SMILESNc1nccc(Nc2cc(-c3cc4cccc(C(=O)O)c4[nH]3)c3[nH]ncc3c2)n1
InChIInChI=1S/C20H15N7O2/c21-20-22-5-4-16(26-20)24-12-6-11-9-23-27-18(11)14(8-12)15-7-10-2-1-3-13(19(28)29)17(10)25-15/h1-9,25H,(H,23,27)(H,28,29)(H3,21,22,24,26)
InChIKeyXYCOEWOYEHDJDQ-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.53
Rot. Bonds4

About 2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid

2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid (PubChem CID 59024137) has the molecular formula C20H15N7O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid
PubChem CID59024137
Molecular FormulaC20H15N7O2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid
SMILESNc1nccc(Nc2cc(-c3cc4cccc(C(=O)O)c4[nH]3)c3[nH]ncc3c2)n1
InChIInChI=1S/C20H15N7O2/c21-20-22-5-4-16(26-20)24-12-6-11-9-23-27-18(11)14(8-12)15-7-10-2-1-3-13(19(28)29)17(10)25-15/h1-9,25H,(H,23,27)(H,28,29)(H3,21,22,24,26)
InChIKeyXYCOEWOYEHDJDQ-UHFFFAOYSA-N
XLogP3.53
TPSA145.60 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid?
The IUPAC name of 2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid (CID 59024137) is 2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid.
What is the SMILES notation for 2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid?
The canonical SMILES for 2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid is Nc1nccc(Nc2cc(-c3cc4cccc(C(=O)O)c4[nH]3)c3[nH]ncc3c2)n1.
What is the InChIKey of 2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid?
The InChIKey is XYCOEWOYEHDJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2/c21-20-22-5-4-16(26-20)24-12-6-11-9-23-27-18(11)14(8-12)15-7-10-2-1-3-13(19(28)29)17(10)25-15/h1-9,25H,(H,23,27)(H,28,29)(H3,21,22,24,26).
What are the key properties of 2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid?
2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid has a molecular weight of 385.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-7-carboxylic acid is sourced from PubChem (CID 59024137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).