6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C21H18N6O — CID 137272002

IUPAC6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCC(c2ccccc2)c2c[nH]c3ccccc23)nc2[nH]ncc12
InChIInChI=1S/C21H18N6O/c28-20-17-12-24-27-19(17)25-21(26-20)23-10-15(13-6-2-1-3-7-13)16-11-22-18-9-5-4-8-14(16)18/h1-9,11-12,15,22H,10H2,(H3,23,24,25,26,27,28)
InChIKeyDRAQLHHLHKQWMY-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.37
Rot. Bonds5

About 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137272002) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137272002
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCC(c2ccccc2)c2c[nH]c3ccccc23)nc2[nH]ncc12
InChIInChI=1S/C21H18N6O/c28-20-17-12-24-27-19(17)25-21(26-20)23-10-15(13-6-2-1-3-7-13)16-11-22-18-9-5-4-8-14(16)18/h1-9,11-12,15,22H,10H2,(H3,23,24,25,26,27,28)
InChIKeyDRAQLHHLHKQWMY-UHFFFAOYSA-N
XLogP3.37
TPSA102.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
CID 55346930
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-nitropyridin-2-amine
CID 46817468
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile
CID 93250153
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine
CID 9320368
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-nitropyridin-2-amine
CID 9112683
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylpyrimidine-4-carboxamide
CID 52536064

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137272002) is 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NCC(c2ccccc2)c2c[nH]c3ccccc23)nc2[nH]ncc12.
What is the InChIKey of 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DRAQLHHLHKQWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c28-20-17-12-24-27-19(17)25-21(26-20)23-10-15(13-6-2-1-3-7-13)16-11-22-18-9-5-4-8-14(16)18/h1-9,11-12,15,22H,10H2,(H3,23,24,25,26,27,28).
What are the key properties of 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 370.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137272002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).