1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C15H23N7 — CID 142657511

IUPAC1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCC(N2CCC(n3ncc4c(N)ncnc43)C2)CC1
InChIInChI=1S/C15H23N7/c1-20-5-2-11(3-6-20)21-7-4-12(9-21)22-15-13(8-19-22)14(16)17-10-18-15/h8,10-12H,2-7,9H2,1H3,(H2,16,17,18)
InChIKeyMLNJQDRQVDCIDS-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.75
Rot. Bonds2

About 1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 142657511) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID142657511
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCC(N2CCC(n3ncc4c(N)ncnc43)C2)CC1
InChIInChI=1S/C15H23N7/c1-20-5-2-11(3-6-20)21-7-4-12(9-21)22-15-13(8-19-22)14(16)17-10-18-15/h8,10-12H,2-7,9H2,1H3,(H2,16,17,18)
InChIKeyMLNJQDRQVDCIDS-UHFFFAOYSA-N
XLogP0.75
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141059458
[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
CID 175935264
1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141186691
1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141103907
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
CID 169323707
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470
1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175893683
(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol
CID 10243872
1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-2-(3,5-dichloroanilino)ethanone
CID 67518314
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 46741392
(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 10584870
3-(4-methylphenyl)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 145124778

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 142657511) is 1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is CN1CCC(N2CCC(n3ncc4c(N)ncnc43)C2)CC1.
What is the InChIKey of 1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MLNJQDRQVDCIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-20-5-2-11(3-6-20)21-7-4-12(9-21)22-15-13(8-19-22)14(16)17-10-18-15/h8,10-12H,2-7,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 301.40 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 142657511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).