N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine

C18H21ClN6O — CID 8547962

IUPACN-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1ccc(Nc2nc(N3CCCCC3)c3cnn(C)c3n2)cc1Cl
InChIInChI=1S/C18H21ClN6O/c1-24-16-13(11-20-24)17(25-8-4-3-5-9-25)23-18(22-16)21-12-6-7-15(26-2)14(19)10-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,22,23)
InChIKeyQNOHPXIIPGIWKK-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.76
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine

N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 8547962) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID8547962
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1ccc(Nc2nc(N3CCCCC3)c3cnn(C)c3n2)cc1Cl
InChIInChI=1S/C18H21ClN6O/c1-24-16-13(11-20-24)17(25-8-4-3-5-9-25)23-18(22-16)21-12-6-7-15(26-2)14(19)10-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,22,23)
InChIKeyQNOHPXIIPGIWKK-UHFFFAOYSA-N
XLogP3.76
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7162562
6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 27368996
N-(3-chloro-4-methoxyphenyl)-6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 27602542
N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 50795389
N-(3,5-dimethylphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 8548148
1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7216392
4-(azepan-1-yl)-N-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-amine
CID 8550271
N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7162579
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
[2-(3-chloro-4-methoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250016
2-[[6-(3,4-dimethoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 7162561
4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 1256691

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 8547962) is N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine is COc1ccc(Nc2nc(N3CCCCC3)c3cnn(C)c3n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is QNOHPXIIPGIWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-24-16-13(11-20-24)17(25-8-4-3-5-9-25)23-18(22-16)21-12-6-7-15(26-2)14(19)10-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 372.86 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 8547962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).