2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine

C17H14N6 — CID 118664300

IUPAC2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3ccc(-c4nccc(N)n4)cc32)n1
InChIInChI=1S/C17H14N6/c1-11-3-2-4-16(21-11)23-14-9-12(5-6-13(14)10-20-23)17-19-8-7-15(18)22-17/h2-10H,1H3,(H2,18,19,22)
InChIKeyQQCKOBMSJWPTMY-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.77
Rot. Bonds2

About 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine

2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine (PubChem CID 118664300) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine
PubChem CID118664300
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3ccc(-c4nccc(N)n4)cc32)n1
InChIInChI=1S/C17H14N6/c1-11-3-2-4-16(21-11)23-14-9-12(5-6-13(14)10-20-23)17-19-8-7-15(18)22-17/h2-10H,1H3,(H2,18,19,22)
InChIKeyQQCKOBMSJWPTMY-UHFFFAOYSA-N
XLogP2.77
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine?
The IUPAC name of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine (CID 118664300) is 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine is Cc1cccc(-n2ncc3ccc(-c4nccc(N)n4)cc32)n1.
What is the InChIKey of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine?
The InChIKey is QQCKOBMSJWPTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-11-3-2-4-16(21-11)23-14-9-12(5-6-13(14)10-20-23)17-19-8-7-15(18)22-17/h2-10H,1H3,(H2,18,19,22).
What are the key properties of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine?
2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-amine is sourced from PubChem (CID 118664300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).