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

C25H23N5O5 — CID 3241692

IUPAC[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
SMILESCOc1ccc(-c2[nH]nc3c2C(c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C25H23N5O5/c1-32-16-8-6-15(7-9-16)22-21-20(18(14-26)23(27)35-24(21)29-28-22)17-4-2-3-5-19(17)34-25(31)30-10-12-33-13-11-30/h2-9,20H,10-13,27H2,1H3,(H,28,29)
InChIKeyNMVZYONJWLAWQM-UHFFFAOYSA-N
MW473.49 g/mol
LogP3.13
Rot. Bonds4

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

[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate (PubChem CID 3241692) has the molecular formula C25H23N5O5 and a molecular weight of 473.49 g/mol. Its IUPAC name is [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
PubChem CID3241692
Molecular FormulaC25H23N5O5
Molecular Weight473.49 g/mol
Exact Mass473.17
IUPAC Name[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
SMILESCOc1ccc(-c2[nH]nc3c2C(c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C25H23N5O5/c1-32-16-8-6-15(7-9-16)22-21-20(18(14-26)23(27)35-24(21)29-28-22)17-4-2-3-5-19(17)34-25(31)30-10-12-33-13-11-30/h2-9,20H,10-13,27H2,1H3,(H,28,29)
InChIKeyNMVZYONJWLAWQM-UHFFFAOYSA-N
XLogP3.13
TPSA135.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate?
The IUPAC name of [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate (CID 3241692) is [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate?
The canonical SMILES for [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate is COc1ccc(-c2[nH]nc3c2C(c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1.
What is the InChIKey of [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate?
The InChIKey is NMVZYONJWLAWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5/c1-32-16-8-6-15(7-9-16)22-21-20(18(14-26)23(27)35-24(21)29-28-22)17-4-2-3-5-19(17)34-25(31)30-10-12-33-13-11-30/h2-9,20H,10-13,27H2,1H3,(H,28,29).
What are the key properties of [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate?
[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate has a molecular weight of 473.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 3241692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).