N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine

C18H23N7 — CID 155413689

IUPACN'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
SMILESCn1ncc2c(N3CCCC3)nc(NCC(N)c3ccccc3)nc21
InChIInChI=1S/C18H23N7/c1-24-16-14(11-21-24)17(25-9-5-6-10-25)23-18(22-16)20-12-15(19)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12,19H2,1H3,(H,20,22,23)
InChIKeyZHLCEXDKOVDMPR-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.08
Rot. Bonds5

About N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine

N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine (PubChem CID 155413689) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
PubChem CID155413689
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
SMILESCn1ncc2c(N3CCCC3)nc(NCC(N)c3ccccc3)nc21
InChIInChI=1S/C18H23N7/c1-24-16-14(11-21-24)17(25-9-5-6-10-25)23-18(22-16)20-12-15(19)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12,19H2,1H3,(H,20,22,23)
InChIKeyZHLCEXDKOVDMPR-UHFFFAOYSA-N
XLogP2.08
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 50795389
6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155413642
1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7162562
6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414310
1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7216392
6-N-(2-amino-2-phenylethyl)-4-N-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414227
6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155428951
6-N-(2,2-diphenylethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 86804856
6-N-(2-amino-2-phenylethyl)-4-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414644
1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
CID 175218777
6-N-[2-amino-2-(2-bromophenyl)ethyl]-4-N-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414664
3-amino-1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953895

Frequently Asked Questions

What is the IUPAC name of N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine (CID 155413689) is N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine is Cn1ncc2c(N3CCCC3)nc(NCC(N)c3ccccc3)nc21.
What is the InChIKey of N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine?
The InChIKey is ZHLCEXDKOVDMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-24-16-14(11-21-24)17(25-9-5-6-10-25)23-18(22-16)20-12-15(19)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12,19H2,1H3,(H,20,22,23).
What are the key properties of N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine?
N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine has a molecular weight of 337.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 155413689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).