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

C25H23N5O2 — CID 3158957

IUPAC6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccccc1OCCn1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21
InChIInChI=1S/C25H23N5O2/c1-15-7-3-6-10-21(15)31-12-11-30-14-19(17-8-4-5-9-20(17)30)23-18(13-26)24(27)32-25-22(23)16(2)28-29-25/h3-10,14,23H,11-12,27H2,1-2H3,(H,28,29)
InChIKeyHERRUFGRDDLTHM-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.28
Rot. Bonds5

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

6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3158957) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3158957
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccccc1OCCn1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21
InChIInChI=1S/C25H23N5O2/c1-15-7-3-6-10-21(15)31-12-11-30-14-19(17-8-4-5-9-20(17)30)23-18(13-26)24(27)32-25-22(23)16(2)28-29-25/h3-10,14,23H,11-12,27H2,1-2H3,(H,28,29)
InChIKeyHERRUFGRDDLTHM-UHFFFAOYSA-N
XLogP4.28
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
(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
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
(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-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4266004
(4S)-6-amino-3-methyl-4-quinolin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 948183
(4S)-6-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1418139
2-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-7-ethylindol-1-yl]acetamide
CID 5217490
(4R)-6-amino-4-[2-[(2-fluorophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1316762
(4S)-6-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 719869

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3158957) is 6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1ccccc1OCCn1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2ccccc21.
What is the InChIKey of 6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is HERRUFGRDDLTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-15-7-3-6-10-21(15)31-12-11-30-14-19(17-8-4-5-9-20(17)30)23-18(13-26)24(27)32-25-22(23)16(2)28-29-25/h3-10,14,23H,11-12,27H2,1-2H3,(H,28,29).
What are the key properties of 6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 425.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-4-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3158957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).