N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide

C21H19N5O2S — CID 2196140

IUPACN-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cc(C)sc4C)c32)cc1
InChIInChI=1S/C21H19N5O2S/c1-10-8-15(11(2)29-10)19-18-17(13-4-6-14(7-5-13)24-12(3)27)16(9-22)20(23)28-21(18)26-25-19/h4-8,17H,23H2,1-3H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyLRWUGAPSLMMXPA-QGZVFWFLSA-N
MW405.48 g/mol
LogP3.93
Rot. Bonds3

About N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide

N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide (PubChem CID 2196140) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
PubChem CID2196140
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cc(C)sc4C)c32)cc1
InChIInChI=1S/C21H19N5O2S/c1-10-8-15(11(2)29-10)19-18-17(13-4-6-14(7-5-13)24-12(3)27)16(9-22)20(23)28-21(18)26-25-19/h4-8,17H,23H2,1-3H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyLRWUGAPSLMMXPA-QGZVFWFLSA-N
XLogP3.93
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide with MolForge

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Related Compounds

methyl 4-[6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
CID 2946582
N-[4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl]acetamide
CID 2946022
(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
(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
N-[4-[6-amino-5-cyano-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
CID 3920761
N-[4-[(4S)-6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide
CID 41035058
(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
(4S)-6-amino-3-(2,5-dimethylthiophen-3-yl)-4-(2-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087895
[4-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] acetate
CID 689131
N-[4-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl]phenyl]acetamide
CID 786221

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide?
The IUPAC name of 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) is N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cc(C)sc4C)c32)cc1.
What is the InChIKey of N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide?
The InChIKey is LRWUGAPSLMMXPA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-10-8-15(11(2)29-10)19-18-17(13-4-6-14(7-5-13)24-12(3)27)16(9-22)20(23)28-21(18)26-25-19/h4-8,17H,23H2,1-3H3,(H,24,27)(H,25,26)/t17-/m1/s1.
What are the key properties of N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide?
N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4R)-6-amino-5-cyano-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 2196140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).