methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate

C19H17N5O3 — CID 1096208

IUPACmethyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate
SMILESCOC(=O)Cn1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21
InChIInChI=1S/C19H17N5O3/c1-10-16-17(12(7-20)18(21)27-19(16)23-22-10)13-8-24(9-15(25)26-2)14-6-4-3-5-11(13)14/h3-6,8,17H,9,21H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyMNIGMBDNGHTLRY-KRWDZBQOSA-N
MW363.38 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate

methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate (PubChem CID 1096208) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate
PubChem CID1096208
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Namemethyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate
SMILESCOC(=O)Cn1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21
InChIInChI=1S/C19H17N5O3/c1-10-16-17(12(7-20)18(21)27-19(16)23-22-10)13-8-24(9-15(25)26-2)14-6-4-3-5-11(13)14/h3-6,8,17H,9,21H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyMNIGMBDNGHTLRY-KRWDZBQOSA-N
XLogP2.06
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 5029079
6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3996432
6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3158957
2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide
CID 5217490
(4S)-6-amino-4-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40906052
6-amino-4-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3158951
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
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
6-amino-4-(2-methoxynaphthalen-1-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3818544
(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-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate?
The IUPAC name of 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) is methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate is COC(=O)Cn1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21.
What is the InChIKey of methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate?
The InChIKey is MNIGMBDNGHTLRY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-10-16-17(12(7-20)18(21)27-19(16)23-22-10)13-8-24(9-15(25)26-2)14-6-4-3-5-11(13)14/h3-6,8,17H,9,21H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate?
methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate has a molecular weight of 363.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]indol-1-yl]acetate is sourced from PubChem (CID 1096208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).