6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine

C17H21N7O — CID 46215992

IUPAC6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCC[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C17H21N7O/c1-2-11-9-25-6-5-24(11)15-8-13(20-17(19)21-15)10-3-4-12-14(7-10)22-23-16(12)18/h3-4,7-8,11H,2,5-6,9H2,1H3,(H3,18,22,23)(H2,19,20,21)/t11-/m1/s1
InChIKeyNOAWVMJDSNKUAH-LLVKDONJSA-N
MW339.40 g/mol
LogP1.80
Rot. Bonds3

About 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine

6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 46215992) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID46215992
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCC[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C17H21N7O/c1-2-11-9-25-6-5-24(11)15-8-13(20-17(19)21-15)10-3-4-12-14(7-10)22-23-16(12)18/h3-4,7-8,11H,2,5-6,9H2,1H3,(H3,18,22,23)(H2,19,20,21)/t11-/m1/s1
InChIKeyNOAWVMJDSNKUAH-LLVKDONJSA-N
XLogP1.80
TPSA118.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

Gsk-2334470
CID 46215815
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
6-[2-Amino-6-(Morpholin-4-Yl)pyrimidin-4-Yl]-2h-Indazol-3-Amine
CID 46214653
6-{2-Amino-6-[(3r)-3-Methylmorpholin-4-Yl]pyrimidin-4-Yl}-2h-Indazol-3-Amine
CID 46215988
(3s,6r)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-6-Methyl-N-Phenylpiperidine-3-Carboxamide
CID 50909915
Tert-Butyl {(3r,6s)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-6-Methylpiperidin-3-Yl}carbamate
CID 50909916
Tert-Butyl {(3r,5r)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-5-Methylpiperidin-3-Yl}carbamate
CID 50909917
N-{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}-N,3,3-trimethylbutanamide
CID 51354613
1,1-Dimethylethyl{(3R,5R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}methylcarbamate
CID 54581311
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
c-KIT/PDGFRalpha Inhibitor C31
CID 132585195
N2-(3,5-dimorpholinophenyl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 49831162

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 46215992) is 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine is CC[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is NOAWVMJDSNKUAH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N7O/c1-2-11-9-25-6-5-24(11)15-8-13(20-17(19)21-15)10-3-4-12-14(7-10)22-23-16(12)18/h3-4,7-8,11H,2,5-6,9H2,1H3,(H3,18,22,23)(H2,19,20,21)/t11-/m1/s1.
What are the key properties of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 339.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 46215992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).