6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C21H25N5O2 — CID 2971723

IUPAC6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1cc(C)c(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCOCC1
InChIInChI=1S/C21H25N5O2/c1-12-8-13(2)16(9-15(12)11-26-4-6-27-7-5-26)19-17(10-22)20(23)28-21-18(19)14(3)24-25-21/h8-9,19H,4-7,11,23H2,1-3H3,(H,24,25)
InChIKeyREIFMOBSVZOQAF-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.39
Rot. Bonds3

About 6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2971723) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2971723
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1cc(C)c(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCOCC1
InChIInChI=1S/C21H25N5O2/c1-12-8-13(2)16(9-15(12)11-26-4-6-27-7-5-26)19-17(10-22)20(23)28-21-18(19)14(3)24-25-21/h8-9,19H,4-7,11,23H2,1-3H3,(H,24,25)
InChIKeyREIFMOBSVZOQAF-UHFFFAOYSA-N
XLogP2.39
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2971723) is 6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1cc(C)c(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCOCC1.
What is the InChIKey of 6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is REIFMOBSVZOQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12-8-13(2)16(9-15(12)11-26-4-6-27-7-5-26)19-17(10-22)20(23)28-21-18(19)14(3)24-25-21/h8-9,19H,4-7,11,23H2,1-3H3,(H,24,25).
What are the key properties of 6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 379.46 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2971723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).