N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C15H18ClN7O — CID 90104465

IUPACN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCn1ncc(Nc2nc(C3CCC3)nc3cn[nH]c23)c1Cl
InChIInChI=1S/C15H18ClN7O/c1-24-6-5-23-13(16)11(8-18-23)20-15-12-10(7-17-22-12)19-14(21-15)9-3-2-4-9/h7-9H,2-6H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyYJWUENDPEUGJHJ-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.86
Rot. Bonds6

About N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90104465) has the molecular formula C15H18ClN7O and a molecular weight of 347.81 g/mol. Its IUPAC name is N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90104465
Molecular FormulaC15H18ClN7O
Molecular Weight347.81 g/mol
Exact Mass347.13
IUPAC NameN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCn1ncc(Nc2nc(C3CCC3)nc3cn[nH]c23)c1Cl
InChIInChI=1S/C15H18ClN7O/c1-24-6-5-23-13(16)11(8-18-23)20-15-12-10(7-17-22-12)19-14(21-15)9-3-2-4-9/h7-9H,2-6H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyYJWUENDPEUGJHJ-UHFFFAOYSA-N
XLogP2.86
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 118380657
5-cyclobutyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90103505
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90103691
N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104972
4-N-[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]-1-(2-methoxyethyl)-5-N,5-N-dimethylpyrazole-4,5-diamine
CID 90104284
5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90103675
5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104246
4-[(5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-methylpyridin-2-one
CID 90104754
5-chloro-4-cyclopentyloxy-1-(2-methoxyethyl)pyrazole
CID 117231738
5-cyclopropyl-N-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 118380620
6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
CID 133419008
5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
CID 114444847

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90104465) is N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is COCCn1ncc(Nc2nc(C3CCC3)nc3cn[nH]c23)c1Cl.
What is the InChIKey of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is YJWUENDPEUGJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN7O/c1-24-6-5-23-13(16)11(8-18-23)20-15-12-10(7-17-22-12)19-14(21-15)9-3-2-4-9/h7-9H,2-6H2,1H3,(H,17,22)(H,19,20,21).
What are the key properties of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 347.81 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90104465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).