(4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H17N5O2 — CID 864946

IUPAC(4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)cc2c1
InChIInChI=1S/C19H17N5O2/c1-3-10-4-5-14-11(6-10)7-12(18(25)22-14)16-13(8-20)17(21)26-19-15(16)9(2)23-24-19/h4-7,16H,3,21H2,1-2H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyHJTKBLIBBFMTBA-INIZCTEOSA-N
MW347.38 g/mol
LogP2.34
Rot. Bonds2

About (4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 864946) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID864946
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name(4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)cc2c1
InChIInChI=1S/C19H17N5O2/c1-3-10-4-5-14-11(6-10)7-12(18(25)22-14)16-13(8-20)17(21)26-19-15(16)9(2)23-24-19/h4-7,16H,3,21H2,1-2H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyHJTKBLIBBFMTBA-INIZCTEOSA-N
XLogP2.34
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(4R)-6-amino-4-(2-chloro-6-ethylquinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1374282
6-amino-4-(2-chloro-6-ethylquinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3167678
(4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 966945
(4S)-6-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 719869
(4S)-6-amino-4-(2-chloro-8-methylquinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1374279
6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 139234738
(4R)-6-amino-4-(2,3-diethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 930940
ethyl (4R)-6-amino-5-cyano-4-(6-ethoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate
CID 1135286
6-amino-4-(5-bromo-2-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2942320
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(4S)-6-amino-3-methyl-4-(2,3,5,6-tetramethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6940547
6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4266004

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 864946) is (4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)cc2c1.
What is the InChIKey of (4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is HJTKBLIBBFMTBA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-3-10-4-5-14-11(6-10)7-12(18(25)22-14)16-13(8-20)17(21)26-19-15(16)9(2)23-24-19/h4-7,16H,3,21H2,1-2H3,(H,22,25)(H,23,24)/t16-/m0/s1.
What are the key properties of (4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 347.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-4-(6-ethyl-2-oxo-1H-quinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 864946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).