N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine

C17H15N7 — CID 59548454

IUPACN-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine
SMILESCc1nc(N)cc(-c2cccnc2Nc2cccc3[nH]ncc23)n1
InChIInChI=1S/C17H15N7/c1-10-21-15(8-16(18)22-10)11-4-3-7-19-17(11)23-13-5-2-6-14-12(13)9-20-24-14/h2-9H,1H3,(H,19,23)(H,20,24)(H2,18,21,22)
InChIKeyWHJXPQMHEGTMAA-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.05
Rot. Bonds3

About N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine

N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine (PubChem CID 59548454) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine
PubChem CID59548454
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine
SMILESCc1nc(N)cc(-c2cccnc2Nc2cccc3[nH]ncc23)n1
InChIInChI=1S/C17H15N7/c1-10-21-15(8-16(18)22-10)11-4-3-7-19-17(11)23-13-5-2-6-14-12(13)9-20-24-14/h2-9H,1H3,(H,19,23)(H,20,24)(H2,18,21,22)
InChIKeyWHJXPQMHEGTMAA-UHFFFAOYSA-N
XLogP3.05
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine?
The IUPAC name of N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine (CID 59548454) is N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine?
The canonical SMILES for N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine is Cc1nc(N)cc(-c2cccnc2Nc2cccc3[nH]ncc23)n1.
What is the InChIKey of N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine?
The InChIKey is WHJXPQMHEGTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-10-21-15(8-16(18)22-10)11-4-3-7-19-17(11)23-13-5-2-6-14-12(13)9-20-24-14/h2-9H,1H3,(H,19,23)(H,20,24)(H2,18,21,22).
What are the key properties of N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine?
N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine has a molecular weight of 317.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine is sourced from PubChem (CID 59548454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).