6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine

C16H19N7 — CID 46214650

IUPAC6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCCC2)n1
InChIInChI=1S/C16H19N7/c17-15-11-5-4-10(8-13(11)21-22-15)12-9-14(20-16(18)19-12)23-6-2-1-3-7-23/h4-5,8-9H,1-3,6-7H2,(H3,17,21,22)(H2,18,19,20)
InChIKeyYVFNRXBPVWUZRV-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.17
Rot. Bonds2

About 6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine

6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine (PubChem CID 46214650) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine
PubChem CID46214650
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCCC2)n1
InChIInChI=1S/C16H19N7/c17-15-11-5-4-10(8-13(11)21-22-15)12-9-14(20-16(18)19-12)23-6-2-1-3-7-23/h4-5,8-9H,1-3,6-7H2,(H3,17,21,22)(H2,18,19,20)
InChIKeyYVFNRXBPVWUZRV-UHFFFAOYSA-N
XLogP2.17
TPSA109.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine?
The IUPAC name of 6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine (CID 46214650) is 6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine is Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCCC2)n1.
What is the InChIKey of 6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine?
The InChIKey is YVFNRXBPVWUZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c17-15-11-5-4-10(8-13(11)21-22-15)12-9-14(20-16(18)19-12)23-6-2-1-3-7-23/h4-5,8-9H,1-3,6-7H2,(H3,17,21,22)(H2,18,19,20).
What are the key properties of 6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine?
6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine has a molecular weight of 309.38 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-6-piperidin-1-ylpyrimidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 46214650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).