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

C18H23N7O2 — CID 58504384

IUPAC6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine
SMILESCC[C@@H]1COCCN1c1cc(-c2cc(OC)c3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C18H23N7O2/c1-3-11-9-27-5-4-25(11)15-8-12(21-18(20)22-15)10-6-13-16(14(7-10)26-2)17(19)24-23-13/h6-8,11H,3-5,9H2,1-2H3,(H3,19,23,24)(H2,20,21,22)/t11-/m1/s1
InChIKeyVDYIVGTXTWKBGD-LLVKDONJSA-N
MW369.43 g/mol
LogP1.81
Rot. Bonds4

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

6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine (PubChem CID 58504384) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine
PubChem CID58504384
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine
SMILESCC[C@@H]1COCCN1c1cc(-c2cc(OC)c3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C18H23N7O2/c1-3-11-9-27-5-4-25(11)15-8-12(21-18(20)22-15)10-6-13-16(14(7-10)26-2)17(19)24-23-13/h6-8,11H,3-5,9H2,1-2H3,(H3,19,23,24)(H2,20,21,22)/t11-/m1/s1
InChIKeyVDYIVGTXTWKBGD-LLVKDONJSA-N
XLogP1.81
TPSA128.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine?
The IUPAC name of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine (CID 58504384) is 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine.
What is the SMILES notation for 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine?
The canonical SMILES for 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine is CC[C@@H]1COCCN1c1cc(-c2cc(OC)c3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine?
The InChIKey is VDYIVGTXTWKBGD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-3-11-9-27-5-4-25(11)15-8-12(21-18(20)22-15)10-6-13-16(14(7-10)26-2)17(19)24-23-13/h6-8,11H,3-5,9H2,1-2H3,(H3,19,23,24)(H2,20,21,22)/t11-/m1/s1.
What are the key properties of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine?
6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine has a molecular weight of 369.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-1H-indazol-3-amine is sourced from PubChem (CID 58504384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).