N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide

C23H24N8O — CID 51354327

IUPACN-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCC(NC(=O)c3ccccc3)C2)n1
InChIInChI=1S/C23H24N8O/c24-21-17-9-8-15(11-19(17)29-30-21)18-12-20(28-23(25)27-18)31-10-4-7-16(13-31)26-22(32)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,26,32)(H3,24,29,30)(H2,25,27,28)
InChIKeyYUJACPUEEGUFHA-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.58
Rot. Bonds4

About N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide

N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide (PubChem CID 51354327) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide
PubChem CID51354327
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC NameN-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCC(NC(=O)c3ccccc3)C2)n1
InChIInChI=1S/C23H24N8O/c24-21-17-9-8-15(11-19(17)29-30-21)18-12-20(28-23(25)27-18)31-10-4-7-16(13-31)26-22(32)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,26,32)(H3,24,29,30)(H2,25,27,28)
InChIKeyYUJACPUEEGUFHA-UHFFFAOYSA-N
XLogP2.58
TPSA138.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide?
The IUPAC name of N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide (CID 51354327) is N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide.
What is the SMILES notation for N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide?
The canonical SMILES for N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide is Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCC(NC(=O)c3ccccc3)C2)n1.
What is the InChIKey of N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide?
The InChIKey is YUJACPUEEGUFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c24-21-17-9-8-15(11-19(17)29-30-21)18-12-20(28-23(25)27-18)31-10-4-7-16(13-31)26-22(32)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,26,32)(H3,24,29,30)(H2,25,27,28).
What are the key properties of N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide?
N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide has a molecular weight of 428.50 g/mol, XLogP of 2.58, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]benzamide is sourced from PubChem (CID 51354327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).