[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid

C17H20N8O2 — CID 68519358

IUPAC[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@@H](NC(=O)O)C2)n1
InChIInChI=1S/C17H20N8O2/c18-15-11-4-3-9(6-13(11)23-24-15)12-7-14(22-16(19)21-12)25-5-1-2-10(8-25)20-17(26)27/h3-4,6-7,10,20H,1-2,5,8H2,(H,26,27)(H3,18,23,24)(H2,19,21,22)/t10-/m1/s1
InChIKeyRJXBXASSFRVTJZ-SNVBAGLBSA-N
MW368.40 g/mol
LogP1.42
Rot. Bonds3

About [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid

[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid (PubChem CID 68519358) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid
PubChem CID68519358
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@@H](NC(=O)O)C2)n1
InChIInChI=1S/C17H20N8O2/c18-15-11-4-3-9(6-13(11)23-24-15)12-7-14(22-16(19)21-12)25-5-1-2-10(8-25)20-17(26)27/h3-4,6-7,10,20H,1-2,5,8H2,(H,26,27)(H3,18,23,24)(H2,19,21,22)/t10-/m1/s1
InChIKeyRJXBXASSFRVTJZ-SNVBAGLBSA-N
XLogP1.42
TPSA159.07 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid with MolForge

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Related Compounds

[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid
CID 66991408
[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66990713
[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-benzylcarbamic acid
CID 66990879
(3S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 58504671
(2S,5R)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-cyclohexyl-5-methylmorpholine-2-carboxamide
CID 52918200
[1-[(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-2,2-dimethylpropyl]carbamic acid
CID 66991615
[(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl-tert-butylcarbamic acid
CID 66991616
1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide
CID 90789888
(3R,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide
CID 51357696
(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-(cyclohexylmethyl)-6-methylpiperidine-3-carboxamide
CID 46215129
(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 58504810
tert-butyl N-[1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 76806940

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid (CID 68519358) is [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid is Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@@H](NC(=O)O)C2)n1.
What is the InChIKey of [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid?
The InChIKey is RJXBXASSFRVTJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H20N8O2/c18-15-11-4-3-9(6-13(11)23-24-15)12-7-14(22-16(19)21-12)25-5-1-2-10(8-25)20-17(26)27/h3-4,6-7,10,20H,1-2,5,8H2,(H,26,27)(H3,18,23,24)(H2,19,21,22)/t10-/m1/s1.
What are the key properties of [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid?
[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid has a molecular weight of 368.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 68519358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).