4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

C19H14N6O — CID 44543658

IUPAC4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc(-c3cc4ccccc4o3)c3[nH]ncc3c2)n1
InChIInChI=1S/C19H14N6O/c20-19-21-6-5-17(24-19)23-13-7-12-10-22-25-18(12)14(9-13)16-8-11-3-1-2-4-15(11)26-16/h1-10H,(H,22,25)(H3,20,21,23,24)
InChIKeyIQDDLNJTLVXFQA-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.09
Rot. Bonds3

About 4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (PubChem CID 44543658) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
PubChem CID44543658
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc(-c3cc4ccccc4o3)c3[nH]ncc3c2)n1
InChIInChI=1S/C19H14N6O/c20-19-21-6-5-17(24-19)23-13-7-12-10-22-25-18(12)14(9-13)16-8-11-3-1-2-4-15(11)26-16/h1-10H,(H,22,25)(H3,20,21,23,24)
InChIKeyIQDDLNJTLVXFQA-UHFFFAOYSA-N
XLogP4.09
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(7-methyl-1H-indazol-4-yl)-2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 53319339
N-(1H-indazol-4-yl)-2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 53323287
N-(7-fluoro-1H-indazol-4-yl)-2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 53324074
2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
CID 44534779
4-[5-(1-benzofuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 137647543
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 127024757
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137113880
N-dibenzofuran-2-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25536472
2-N-[2-(1-benzofuran-3-yl)ethyl]-4-N-[2-(1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 44528418
6-(furan-3-yl)-3-(1H-indazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 155524405
7-(1-Benzofuran-5-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 172470179
6-(3-ethyl-1-benzofuran-5-yl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 70977659

Frequently Asked Questions

What is the IUPAC name of 4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (CID 44543658) is 4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is Nc1nccc(Nc2cc(-c3cc4ccccc4o3)c3[nH]ncc3c2)n1.
What is the InChIKey of 4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is IQDDLNJTLVXFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c20-19-21-6-5-17(24-19)23-13-7-12-10-22-25-18(12)14(9-13)16-8-11-3-1-2-4-15(11)26-16/h1-10H,(H,22,25)(H3,20,21,23,24).
What are the key properties of 4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 342.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 44543658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).