(4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C24H18N4O2S — CID 1397949

IUPAC(4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1cccs1
InChIInChI=1S/C24H18N4O2S/c25-13-18-20(19-7-4-12-31-19)21-22(27-28-24(21)30-23(18)26)16-8-10-17(11-9-16)29-14-15-5-2-1-3-6-15/h1-12,20H,14,26H2,(H,27,28)/t20-/m0/s1
InChIKeyLKUCLKQKJJQKJG-FQEVSTJZSA-N
MW426.50 g/mol
LogP4.94
Rot. Bonds5

About (4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 1397949) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is (4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID1397949
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC Name(4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1cccs1
InChIInChI=1S/C24H18N4O2S/c25-13-18-20(19-7-4-12-31-19)21-22(27-28-24(21)30-23(18)26)16-8-10-17(11-9-16)29-14-15-5-2-1-3-6-15/h1-12,20H,14,26H2,(H,27,28)/t20-/m0/s1
InChIKeyLKUCLKQKJJQKJG-FQEVSTJZSA-N
XLogP4.94
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-4-(4-fluorophenyl)-3-(4-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3814864
(4R)-6-amino-3-(4-chlorophenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 978777
6-amino-4-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3779676
(4R)-6-amino-4-(2,3-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1401383
methyl 4-[6-amino-5-cyano-3-(4-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
CID 3814911
(4S)-6-amino-3-(3-methoxyphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1397745
6-amino-3-(4-ethoxyphenyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945797
6-amino-4-[4-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 22330918
(4R)-6-amino-3-(4-phenylphenyl)-4-pyridin-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6547333
6-amino-4-(4-phenylphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3562980
6-amino-3-ethyl-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3141758
(4S)-6-amino-4-[4-[(2-fluorophenyl)methoxy]phenyl]-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044713

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 1397949) is (4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1cccs1.
What is the InChIKey of (4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is LKUCLKQKJJQKJG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H18N4O2S/c25-13-18-20(19-7-4-12-31-19)21-22(27-28-24(21)30-23(18)26)16-8-10-17(11-9-16)29-14-15-5-2-1-3-6-15/h1-12,20H,14,26H2,(H,27,28)/t20-/m0/s1.
What are the key properties of (4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 426.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-3-(4-phenylmethoxyphenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 1397949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).