3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine

C20H25ClFN7O2 — CID 169131509

IUPAC3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCOc1nn(C2CCOCC2)c(C2(F)CC2)c1Nc1ncc2c(Cl)nn(CC)c2n1
InChIInChI=1S/C20H25ClFN7O2/c1-3-28-17-13(16(21)26-28)11-23-19(25-17)24-14-15(20(22)7-8-20)29(27-18(14)31-4-2)12-5-9-30-10-6-12/h11-12H,3-10H2,1-2H3,(H,23,24,25)
InChIKeyONSKNDVCMGXHNX-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.15
Rot. Bonds7

About 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine

3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 169131509) has the molecular formula C20H25ClFN7O2 and a molecular weight of 449.92 g/mol. Its IUPAC name is 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID169131509
Molecular FormulaC20H25ClFN7O2
Molecular Weight449.92 g/mol
Exact Mass449.17
IUPAC Name3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCOc1nn(C2CCOCC2)c(C2(F)CC2)c1Nc1ncc2c(Cl)nn(CC)c2n1
InChIInChI=1S/C20H25ClFN7O2/c1-3-28-17-13(16(21)26-28)11-23-19(25-17)24-14-15(20(22)7-8-20)29(27-18(14)31-4-2)12-5-9-30-10-6-12/h11-12H,3-10H2,1-2H3,(H,23,24,25)
InChIKeyONSKNDVCMGXHNX-UHFFFAOYSA-N
XLogP4.15
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[5-(1-fluorocyclopropyl)-3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 170117515
[3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone
CID 138710565
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 69281706
5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 163700363
2-ethoxy-4-[[7-ethyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]-5-methylbenzamide
CID 177344211
5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile
CID 155365271
5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138710573
4-[[7-ethyl-8-(oxan-4-yl)-2,4,7,8-tetrazabicyclo[4.2.0]octa-1,3,5-trien-3-yl]amino]-2-fluoro-5-methylbenzamide
CID 177344173
5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine
CID 121416628
6-chloro-1-(oxan-4-yl)-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 162716275
2-[[1-methyl-3-(oxetan-3-yloxy)pyrazol-4-yl]amino]-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166178193
3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365359

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine (CID 169131509) is 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine is CCOc1nn(C2CCOCC2)c(C2(F)CC2)c1Nc1ncc2c(Cl)nn(CC)c2n1.
What is the InChIKey of 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is ONSKNDVCMGXHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN7O2/c1-3-28-17-13(16(21)26-28)11-23-19(25-17)24-14-15(20(22)7-8-20)29(27-18(14)31-4-2)12-5-9-30-10-6-12/h11-12H,3-10H2,1-2H3,(H,23,24,25).
What are the key properties of 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine?
3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 449.92 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-ethoxy-5-(1-fluorocyclopropyl)-1-(oxan-4-yl)pyrazol-4-yl]-1-ethylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 169131509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).