[3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone

C17H18Cl2N8O — CID 138710565

IUPAC[3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone
SMILESCCn1nc(Cl)c2cnc(Nc3cn(C4CN(C(=O)C5CC5)C4)nc3Cl)nc21
InChIInChI=1S/C17H18Cl2N8O/c1-2-26-15-11(13(18)23-26)5-20-17(22-15)21-12-8-27(24-14(12)19)10-6-25(7-10)16(28)9-3-4-9/h5,8-10H,2-4,6-7H2,1H3,(H,20,21,22)
InChIKeyRYSIIZDDUCFSPZ-UHFFFAOYSA-N
MW421.29 g/mol
LogP2.89
Rot. Bonds5

About [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone

[3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone (PubChem CID 138710565) has the molecular formula C17H18Cl2N8O and a molecular weight of 421.29 g/mol. Its IUPAC name is [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone
PubChem CID138710565
Molecular FormulaC17H18Cl2N8O
Molecular Weight421.29 g/mol
Exact Mass420.10
IUPAC Name[3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone
SMILESCCn1nc(Cl)c2cnc(Nc3cn(C4CN(C(=O)C5CC5)C4)nc3Cl)nc21
InChIInChI=1S/C17H18Cl2N8O/c1-2-26-15-11(13(18)23-26)5-20-17(22-15)21-12-8-27(24-14(12)19)10-6-25(7-10)16(28)9-3-4-9/h5,8-10H,2-4,6-7H2,1H3,(H,20,21,22)
InChIKeyRYSIIZDDUCFSPZ-UHFFFAOYSA-N
XLogP2.89
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

[4-[3-chloro-4-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]piperidin-1-yl]-cyclopropylmethanone
CID 138710500
[(3R)-3-[3-chloro-4-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 138710508
5-chloro-N-(3-chloro-1-cyclopropylpyrazol-4-yl)-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138710573
3-chloro-N-[3-chloro-1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 165008450
[4-[3-chloro-4-[(5-chloro-7-ethylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]azepan-1-yl]-cyclopropylmethanone;3-chloro-N-[3-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine;3-chloro-N-[5-chloro-1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 164975065
5-chloro-N-[3-chloro-1-(1-methylsulfonylazepan-4-yl)pyrazol-4-yl]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
CID 165098636
2-[[3-chloro-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-4-(ethylamino)pyrimidine-5-carboximidoyl chloride
CID 155200040
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
5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 163700363
tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-ethylpyrazol-1-yl]piperidine-1-carboxylate
CID 170317913
[4-(4-amino-3-chloropyrazol-1-yl)azepan-1-yl]-cyclopropylmethanone
CID 138710724
5-chloro-N-[3-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138711071

Frequently Asked Questions

What is the IUPAC name of [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone (CID 138710565) is [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone is CCn1nc(Cl)c2cnc(Nc3cn(C4CN(C(=O)C5CC5)C4)nc3Cl)nc21.
What is the InChIKey of [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone?
The InChIKey is RYSIIZDDUCFSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N8O/c1-2-26-15-11(13(18)23-26)5-20-17(22-15)21-12-8-27(24-14(12)19)10-6-25(7-10)16(28)9-3-4-9/h5,8-10H,2-4,6-7H2,1H3,(H,20,21,22).
What are the key properties of [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone?
[3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone has a molecular weight of 421.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-chloro-4-[(3-chloro-1-ethylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrazol-1-yl]azetidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 138710565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).