2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide

C17H20ClN7O2 — CID 87467925

IUPAC2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)n1cc(-c2nc(Cl)nc3c2ncn3C2CCCCO2)cn1
InChIInChI=1S/C17H20ClN7O2/c1-17(2,15(19)26)25-8-10(7-21-25)12-13-14(23-16(18)22-12)24(9-20-13)11-5-3-4-6-27-11/h7-9,11H,3-6H2,1-2H3,(H2,19,26)
InChIKeyDJGFJHZPPNLRHP-UHFFFAOYSA-N
MW389.85 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide

2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide (PubChem CID 87467925) has the molecular formula C17H20ClN7O2 and a molecular weight of 389.85 g/mol. Its IUPAC name is 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide
PubChem CID87467925
Molecular FormulaC17H20ClN7O2
Molecular Weight389.85 g/mol
Exact Mass389.14
IUPAC Name2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)n1cc(-c2nc(Cl)nc3c2ncn3C2CCCCO2)cn1
InChIInChI=1S/C17H20ClN7O2/c1-17(2,15(19)26)25-8-10(7-21-25)12-13-14(23-16(18)22-12)24(9-20-13)11-5-3-4-6-27-11/h7-9,11H,3-6H2,1-2H3,(H2,19,26)
InChIKeyDJGFJHZPPNLRHP-UHFFFAOYSA-N
XLogP2.26
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanoate
CID 87465877
[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]phenyl] N-ethylcarbamate
CID 87466958
2-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-9-(oxan-2-yl)purine
CID 155456884
2-chloro-6-[1-(2-cyclobutylethyl)indazol-5-yl]-9-[(2S)-oxan-2-yl]purine
CID 123344045
1-N,4-N-bis[2-chloro-9-(oxan-2-yl)purin-6-yl]cyclohexane-1,4-diamine
CID 59343091
2-chloro-9-(oxan-2-yl)-N-(3,3,3-trifluoropropyl)purin-6-amine
CID 175035843
2-chloro-N-(2,4-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574556
4-[[2-chloro-9-(oxan-2-yl)purin-6-yl]amino]benzene-1,3-diol
CID 146574987
[6-ethoxy-9-(oxan-2-yl)purin-2-yl]urea
CID 102100714
2-chloro-9-(oxan-2-yl)-N-(2,3,4-trifluorophenyl)purin-6-amine
CID 146574717
2-chloro-6-(4-methylpiperazin-1-yl)-9-[(2R)-oxolan-2-yl]purine
CID 129405521
2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine
CID 146575258

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide (CID 87467925) is 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide is CC(C)(C(N)=O)n1cc(-c2nc(Cl)nc3c2ncn3C2CCCCO2)cn1.
What is the InChIKey of 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is DJGFJHZPPNLRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O2/c1-17(2,15(19)26)25-8-10(7-21-25)12-13-14(23-16(18)22-12)24(9-20-13)11-5-3-4-6-27-11/h7-9,11H,3-6H2,1-2H3,(H2,19,26).
What are the key properties of 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide?
2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 389.85 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-chloro-9-(oxan-2-yl)purin-6-yl]pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 87467925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).