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

C22H25N5O4 — CID 3235848

IUPAC[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate
SMILESCC(C)(C)c1[nH]nc2c1C(c1ccccc1OC(=O)N1CCOCC1)C(C#N)=C(N)O2
InChIInChI=1S/C22H25N5O4/c1-22(2,3)18-17-16(14(12-23)19(24)31-20(17)26-25-18)13-6-4-5-7-15(13)30-21(28)27-8-10-29-11-9-27/h4-7,16H,8-11,24H2,1-3H3,(H,25,26)
InChIKeyAITCPPCULPMVPM-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.76
Rot. Bonds2

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

[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate (PubChem CID 3235848) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate
PubChem CID3235848
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate
SMILESCC(C)(C)c1[nH]nc2c1C(c1ccccc1OC(=O)N1CCOCC1)C(C#N)=C(N)O2
InChIInChI=1S/C22H25N5O4/c1-22(2,3)18-17-16(14(12-23)19(24)31-20(17)26-25-18)13-6-4-5-7-15(13)30-21(28)27-8-10-29-11-9-27/h4-7,16H,8-11,24H2,1-3H3,(H,25,26)
InChIKeyAITCPPCULPMVPM-UHFFFAOYSA-N
XLogP2.76
TPSA126.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.76
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)phenyl] morpholine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[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
[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 3241692
[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
[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate
CID 5164996
6-amino-3-tert-butyl-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2865586
[2-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]phenyl] morpholine-4-carboxylate
CID 7277892
[4-[(4S)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] benzoate
CID 1279486
[4-[(4S)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl] acetate
CID 1088031
[3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 1044631
6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946555
[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
(4R)-6-amino-3-tert-butyl-4-(2,6-difluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 947770

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)phenyl] morpholine-4-carboxylate?
The IUPAC name of [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate (CID 3235848) is [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 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)phenyl] morpholine-4-carboxylate?
The canonical SMILES for [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate is CC(C)(C)c1[nH]nc2c1C(c1ccccc1OC(=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)phenyl] morpholine-4-carboxylate?
The InChIKey is AITCPPCULPMVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-22(2,3)18-17-16(14(12-23)19(24)31-20(17)26-25-18)13-6-4-5-7-15(13)30-21(28)27-8-10-29-11-9-27/h4-7,16H,8-11,24H2,1-3H3,(H,25,26).
What are the key properties of [2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate?
[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 2.76, 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)phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 3235848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).