6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

C19H27N7 — CID 70705117

IUPAC6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c(C)c1CN(C)c1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C19H27N7/c1-12-16(13(2)25(4)23-12)11-24(3)18-15-10-20-26(5)19(15)22-17(21-18)14-8-6-7-9-14/h10,14H,6-9,11H2,1-5H3
InChIKeyNOALNXTXXATMJD-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.01
Rot. Bonds4

About 6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70705117) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID70705117
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c(C)c1CN(C)c1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C19H27N7/c1-12-16(13(2)25(4)23-12)11-24(3)18-15-10-20-26(5)19(15)22-17(21-18)14-8-6-7-9-14/h10,14H,6-9,11H2,1-5H3
InChIKeyNOALNXTXXATMJD-UHFFFAOYSA-N
XLogP3.01
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
2,3,6-Trimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201421
N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 70681768
6,7-Dihydro-8-isobutyl-5-methyl-8H-pyrrolo[3,2-e]-s-triazolo[1,5-a]pyrimidine
CID 12671199
7-Methyl-3-(3-methylbutyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671213
3-Hexyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671217
7-Methyl-3-(4-methylpentan-2-yl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671218
5-isopropyl-7-{4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-piperidinyl}pyrazolo[1,5-a]pyrimidine
CID 56895804
6-ethyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56901030
N-[(1-isobutyl-3-pyrrolidinyl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56906371
5-ethyl-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56908030
N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 70696465

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 70705117) is 6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nn(C)c(C)c1CN(C)c1nc(C2CCCC2)nc2c1cnn2C.
What is the InChIKey of 6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NOALNXTXXATMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-12-16(13(2)25(4)23-12)11-24(3)18-15-10-20-26(5)19(15)22-17(21-18)14-8-6-7-9-14/h10,14H,6-9,11H2,1-5H3.
What are the key properties of 6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70705117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).