(4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H17N5O — CID 966945

IUPAC(4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1cccc2c([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)c[nH]c12
InChIInChI=1S/C18H17N5O/c1-3-10-5-4-6-11-13(8-21-16(10)11)15-12(7-19)17(20)24-18-14(15)9(2)22-23-18/h4-6,8,15,21H,3,20H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyOSBDLMCGFDLRAH-OAHLLOKOSA-N
MW319.37 g/mol
LogP2.98
Rot. Bonds2

About (4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 966945) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID966945
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1cccc2c([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)c[nH]c12
InChIInChI=1S/C18H17N5O/c1-3-10-5-4-6-11-13(8-21-16(10)11)15-12(7-19)17(20)24-18-14(15)9(2)22-23-18/h4-6,8,15,21H,3,20H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyOSBDLMCGFDLRAH-OAHLLOKOSA-N
XLogP2.98
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide
CID 5217490
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
(4R)-6-amino-4-(2,3-diethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 930940
6-amino-4-[7-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4320524
(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
(4S)-6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 948183
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(4S)-6-amino-3-ethyl-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 9497179
6-amino-4-(2-methoxynaphthalen-1-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3818544
(4S)-6-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 719869
6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3996432
methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate
CID 1096208

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 966945) is (4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1cccc2c([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)c[nH]c12.
What is the InChIKey of (4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is OSBDLMCGFDLRAH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-10-5-4-6-11-13(8-21-16(10)11)15-12(7-19)17(20)24-18-14(15)9(2)22-23-18/h4-6,8,15,21H,3,20H2,1-2H3,(H,22,23)/t15-/m1/s1.
What are the key properties of (4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 319.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-4-(7-ethyl-1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 966945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).