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

C18H16N4OS2 — CID 1087906

IUPAC(4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cc(C)sc4C)c32)s1
InChIInChI=1S/C18H16N4OS2/c1-8-4-5-13(25-8)14-12(7-19)17(20)23-18-15(14)16(21-22-18)11-6-9(2)24-10(11)3/h4-6,14H,20H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyUADQOEZOHVEKEC-AWEZNQCLSA-N
MW368.49 g/mol
LogP4.34
Rot. Bonds2

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

(4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 1087906) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is (4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID1087906
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name(4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cc(C)sc4C)c32)s1
InChIInChI=1S/C18H16N4OS2/c1-8-4-5-13(25-8)14-12(7-19)17(20)23-18-15(14)16(21-22-18)11-6-9(2)24-10(11)3/h4-6,14H,20H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyUADQOEZOHVEKEC-AWEZNQCLSA-N
XLogP4.34
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1297459
(4S)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1297462
N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
CID 2196140
(4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(1H-indol-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1213891
(4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(2-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087894
methyl 4-[6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
CID 2946582
(4S)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(2-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087895
6-amino-4-[5-(2,4-dichlorophenyl)thiophen-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4149584
(4R)-6-amino-4-(5-bromothiophen-2-yl)-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1239485
6-amino-3-tert-butyl-4-(5-chlorothiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156562
(4R)-6-amino-3-(4-chlorophenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 978777
6-amino-4-(5-bromothiophen-2-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156357

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 1087906) is (4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cc(C)sc4C)c32)s1.
What is the InChIKey of (4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is UADQOEZOHVEKEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-8-4-5-13(25-8)14-12(7-19)17(20)23-18-15(14)16(21-22-18)11-6-9(2)24-10(11)3/h4-6,14H,20H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 368.49 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 1087906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).