(3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine

C24H29N7O3 — CID 71519684

IUPAC(3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
SMILESCOc1cc(-c2nc3nc(N4CCOC[C@@H]4C)nc(N4CCOC[C@H]4C)c3[nH]2)c2cc[nH]c2c1
InChIInChI=1S/C24H29N7O3/c1-14-12-33-8-6-30(14)23-20-22(28-24(29-23)31-7-9-34-13-15(31)2)27-21(26-20)18-10-16(32-3)11-19-17(18)4-5-25-19/h4-5,10-11,14-15,25H,6-9,12-13H2,1-3H3,(H,26,27,28,29)/t14-,15+/m1/s1
InChIKeyXHFLCHVVYMFRSU-CABCVRRESA-N
MW463.54 g/mol
LogP2.96
Rot. Bonds4

About (3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine

(3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine (PubChem CID 71519684) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is (3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
PubChem CID71519684
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name(3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
SMILESCOc1cc(-c2nc3nc(N4CCOC[C@@H]4C)nc(N4CCOC[C@H]4C)c3[nH]2)c2cc[nH]c2c1
InChIInChI=1S/C24H29N7O3/c1-14-12-33-8-6-30(14)23-20-22(28-24(29-23)31-7-9-34-13-15(31)2)27-21(26-20)18-10-16(32-3)11-19-17(18)4-5-25-19/h4-5,10-11,14-15,25H,6-9,12-13H2,1-3H3,(H,26,27,28,29)/t14-,15+/m1/s1
InChIKeyXHFLCHVVYMFRSU-CABCVRRESA-N
XLogP2.96
TPSA104.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

AZ191
CID 72716071
8-[(5-methoxy-2-methylphenyl)amino]-2-{[2-(morpholin-4-yl)ethyl]amino}-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330118
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
N2-(4-(4-isopropylpiperazin-1-yl)-2-methoxyphenyl)-N4-(quinolin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 44581765
2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195227
3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine
CID 9820163
5-{2-[4-(3H-Benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy}-2-methylquinoline
CID 10150796
6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473640
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
4-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methoxy-5H-pyrimido[5,4-b]indole
CID 942804
Lut-014
CID 138319775
N-(1H-indol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330183

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine (CID 71519684) is (3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine is COc1cc(-c2nc3nc(N4CCOC[C@@H]4C)nc(N4CCOC[C@H]4C)c3[nH]2)c2cc[nH]c2c1.
What is the InChIKey of (3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine?
The InChIKey is XHFLCHVVYMFRSU-CABCVRRESA-N. The full InChI is InChI=1S/C24H29N7O3/c1-14-12-33-8-6-30(14)23-20-22(28-24(29-23)31-7-9-34-13-15(31)2)27-21(26-20)18-10-16(32-3)11-19-17(18)4-5-25-19/h4-5,10-11,14-15,25H,6-9,12-13H2,1-3H3,(H,26,27,28,29)/t14-,15+/m1/s1.
What are the key properties of (3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine?
(3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine has a molecular weight of 463.54 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine is sourced from PubChem (CID 71519684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).