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

C24H20FN5O4 — CID 1044631

IUPAC[3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1cccc(OC(=O)N2CCOCC2)c1
InChIInChI=1S/C24H20FN5O4/c25-16-6-4-14(5-7-16)21-20-19(18(13-26)22(27)34-23(20)29-28-21)15-2-1-3-17(12-15)33-24(31)30-8-10-32-11-9-30/h1-7,12,19H,8-11,27H2,(H,28,29)/t19-/m1/s1
InChIKeyPECHDQUTENGKFI-LJQANCHMSA-N
MW461.45 g/mol
LogP3.26
Rot. Bonds3

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

[3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate (PubChem CID 1044631) has the molecular formula C24H20FN5O4 and a molecular weight of 461.45 g/mol. Its IUPAC name is [3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
PubChem CID1044631
Molecular FormulaC24H20FN5O4
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name[3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1cccc(OC(=O)N2CCOCC2)c1
InChIInChI=1S/C24H20FN5O4/c25-16-6-4-14(5-7-16)21-20-19(18(13-26)22(27)34-23(20)29-28-21)15-2-1-3-17(12-15)33-24(31)30-8-10-32-11-9-30/h1-7,12,19H,8-11,27H2,(H,28,29)/t19-/m1/s1
InChIKeyPECHDQUTENGKFI-LJQANCHMSA-N
XLogP3.26
TPSA126.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate with MolForge

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Related Compounds

[3-[(4S)-6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 1272640
[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-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate
CID 5164996
[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
[4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate
CID 3482166
(4R)-6-amino-4-(3-fluorophenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1400252
[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
6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4069198
(4R)-6-amino-3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 9497177
(4R)-6-amino-4-(3-hydroxyphenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1394587
[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
6-amino-3-(3,4-dimethylphenyl)-4-(3-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961969

Frequently Asked Questions

What is the IUPAC name of [3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate?
The IUPAC name of [3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate (CID 1044631) is [3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate?
The canonical SMILES for [3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate is N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1cccc(OC(=O)N2CCOCC2)c1.
What is the InChIKey of [3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate?
The InChIKey is PECHDQUTENGKFI-LJQANCHMSA-N. The full InChI is InChI=1S/C24H20FN5O4/c25-16-6-4-14(5-7-16)21-20-19(18(13-26)22(27)34-23(20)29-28-21)15-2-1-3-17(12-15)33-24(31)30-8-10-32-11-9-30/h1-7,12,19H,8-11,27H2,(H,28,29)/t19-/m1/s1.
What are the key properties of [3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate?
[3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate has a molecular weight of 461.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 1044631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).