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

C18H23N7 — CID 175218777

IUPAC1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
SMILESCn1ncc2c(N3CCCC3)nc(C(N)(CN)c3ccccc3)nc21
InChIInChI=1S/C18H23N7/c1-24-15-14(11-21-24)16(25-9-5-6-10-25)23-17(22-15)18(20,12-19)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12,19-20H2,1H3
InChIKeyVVAZBIKCIJCHPM-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.12
Rot. Bonds4

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

1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine (PubChem CID 175218777) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
PubChem CID175218777
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
SMILESCn1ncc2c(N3CCCC3)nc(C(N)(CN)c3ccccc3)nc21
InChIInChI=1S/C18H23N7/c1-24-15-14(11-21-24)16(25-9-5-6-10-25)23-17(22-15)18(20,12-19)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12,19-20H2,1H3
InChIKeyVVAZBIKCIJCHPM-UHFFFAOYSA-N
XLogP1.12
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of 1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine (CID 175218777) is 1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for 1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine is Cn1ncc2c(N3CCCC3)nc(C(N)(CN)c3ccccc3)nc21.
What is the InChIKey of 1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine?
The InChIKey is VVAZBIKCIJCHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-24-15-14(11-21-24)16(25-9-5-6-10-25)23-17(22-15)18(20,12-19)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12,19-20H2,1H3.
What are the key properties of 1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine?
1-(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 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 175218777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).