6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

C17H23N7 — CID 70727318

IUPAC6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cnc(CN(C)c2nc(C3CCCC3)nc3c2cnn3C)[nH]1
InChIInChI=1S/C17H23N7/c1-11-8-18-14(20-11)10-23(2)16-13-9-19-24(3)17(13)22-15(21-16)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)
InChIKeyOKGAGAGPMNZSKE-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.69
Rot. Bonds4

About 6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70727318) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID70727318
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cnc(CN(C)c2nc(C3CCCC3)nc3c2cnn3C)[nH]1
InChIInChI=1S/C17H23N7/c1-11-8-18-14(20-11)10-23(2)16-13-9-19-24(3)17(13)22-15(21-16)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)
InChIKeyOKGAGAGPMNZSKE-UHFFFAOYSA-N
XLogP2.69
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 70727318) is 6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is Cc1cnc(CN(C)c2nc(C3CCCC3)nc3c2cnn3C)[nH]1.
What is the InChIKey of 6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OKGAGAGPMNZSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-11-8-18-14(20-11)10-23(2)16-13-9-19-24(3)17(13)22-15(21-16)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,20).
What are the key properties of 6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70727318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).