[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate

C22H23Cl2N5O4 — CID 5214836

IUPAC[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate
SMILESCC(C)(C)c1[nH]nc2c1C(c1cc(Cl)cc(Cl)c1OC(=O)N1CCOCC1)C(C#N)=C(N)O2
InChIInChI=1S/C22H23Cl2N5O4/c1-22(2,3)18-16-15(13(10-25)19(26)33-20(16)28-27-18)12-8-11(23)9-14(24)17(12)32-21(30)29-4-6-31-7-5-29/h8-9,15H,4-7,26H2,1-3H3,(H,27,28)
InChIKeyAERYEGFXKSCMAF-UHFFFAOYSA-N
MW492.36 g/mol
LogP4.06
Rot. Bonds2

About [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate

[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate (PubChem CID 5214836) has the molecular formula C22H23Cl2N5O4 and a molecular weight of 492.36 g/mol. Its IUPAC name is [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate
PubChem CID5214836
Molecular FormulaC22H23Cl2N5O4
Molecular Weight492.36 g/mol
Exact Mass491.11
IUPAC Name[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate
SMILESCC(C)(C)c1[nH]nc2c1C(c1cc(Cl)cc(Cl)c1OC(=O)N1CCOCC1)C(C#N)=C(N)O2
InChIInChI=1S/C22H23Cl2N5O4/c1-22(2,3)18-16-15(13(10-25)19(26)33-20(16)28-27-18)12-8-11(23)9-14(24)17(12)32-21(30)29-4-6-31-7-5-29/h8-9,15H,4-7,26H2,1-3H3,(H,27,28)
InChIKeyAERYEGFXKSCMAF-UHFFFAOYSA-N
XLogP4.06
TPSA126.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate
CID 3235848
[4-[(4S)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl] morpholine-4-carboxylate
CID 1038749
(4S)-6-amino-3-tert-butyl-4-(2,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1089874
[4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl] morpholine-4-carboxylate
CID 6737906
[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate
CID 5164996
[4-[(4S)-6-amino-5-cyano-3-(3,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl] morpholine-4-carboxylate
CID 92905507
(4S)-6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2197057
6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946555
[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 3241692
[4-[(4S)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl] acetate
CID 1088031
(4R)-6-amino-4-(3,5-dichloro-2-hydroxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 854124
6-amino-3-tert-butyl-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2865586

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate?
The IUPAC name of [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate (CID 5214836) is [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate.
What is the SMILES notation for [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate?
The canonical SMILES for [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate is CC(C)(C)c1[nH]nc2c1C(c1cc(Cl)cc(Cl)c1OC(=O)N1CCOCC1)C(C#N)=C(N)O2.
What is the InChIKey of [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate?
The InChIKey is AERYEGFXKSCMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O4/c1-22(2,3)18-16-15(13(10-25)19(26)33-20(16)28-27-18)12-8-11(23)9-14(24)17(12)32-21(30)29-4-6-31-7-5-29/h8-9,15H,4-7,26H2,1-3H3,(H,27,28).
What are the key properties of [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate?
[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate has a molecular weight of 492.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-4,6-dichlorophenyl] morpholine-4-carboxylate is sourced from PubChem (CID 5214836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).