N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C22H22N6O — CID 169040637

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cncc(-c2nc3c(c(NCCc4c[nH]c5ccccc45)n2)CNC3)c1
InChIInChI=1S/C22H22N6O/c1-29-16-8-15(9-23-11-16)21-27-20-13-24-12-18(20)22(28-21)25-7-6-14-10-26-19-5-3-2-4-17(14)19/h2-5,8-11,24,26H,6-7,12-13H2,1H3,(H,25,27,28)
InChIKeyUCSYJRWLFPZXLK-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 169040637) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID169040637
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cncc(-c2nc3c(c(NCCc4c[nH]c5ccccc45)n2)CNC3)c1
InChIInChI=1S/C22H22N6O/c1-29-16-8-15(9-23-11-16)21-27-20-13-24-12-18(20)22(28-21)25-7-6-14-10-26-19-5-3-2-4-17(14)19/h2-5,8-11,24,26H,6-7,12-13H2,1H3,(H,25,27,28)
InChIKeyUCSYJRWLFPZXLK-UHFFFAOYSA-N
XLogP3.29
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 146409716
2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56895167
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 135376641
tert-butyl 2-chloro-4-[2-(1H-indol-3-yl)ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 162096273
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 135376297
2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3235047
tert-butyl 2-chloro-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 4-[2-(1H-indol-3-yl)ethylamino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 162063274
N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56898791
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-8,8-dimethyl-7H-purino[8,9-b][1,3]thiazol-4-amine
CID 162474601
N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880267
(7R)-2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
CID 171573074

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 169040637) is N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is COc1cncc(-c2nc3c(c(NCCc4c[nH]c5ccccc45)n2)CNC3)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UCSYJRWLFPZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-29-16-8-15(9-23-11-16)21-27-20-13-24-12-18(20)22(28-21)25-7-6-14-10-26-19-5-3-2-4-17(14)19/h2-5,8-11,24,26H,6-7,12-13H2,1H3,(H,25,27,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 386.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 169040637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).