6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C22H21N5O — CID 3156533

IUPAC6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)(C)c1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)cc1
InChIInChI=1S/C22H21N5O/c1-22(2,3)15-8-6-13(7-9-15)17-16(11-23)20(24)28-21-18(17)19(26-27-21)14-5-4-10-25-12-14/h4-10,12,17H,24H2,1-3H3,(H,26,27)
InChIKeyFCYOZHMHWVFJRT-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.99
Rot. Bonds2

About 6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3156533) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3156533
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)(C)c1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)cc1
InChIInChI=1S/C22H21N5O/c1-22(2,3)15-8-6-13(7-9-15)17-16(11-23)20(24)28-21-18(17)19(26-27-21)14-5-4-10-25-12-14/h4-10,12,17H,24H2,1-3H3,(H,26,27)
InChIKeyFCYOZHMHWVFJRT-UHFFFAOYSA-N
XLogP3.99
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-3-ethyl-4-(4-pyridinyl)-1,4-dihydropyrano(2,3-C)pyrazole-5-carbonitrile
CID 653607
6-Amino-3-tert-BU-4-(3-pyridinyl)1,4-dihydropyrano(2,3-C)pyrazole-5-carbonitrile
CID 612356
6-Amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961937
6-amino-4-(1H-indol-3-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4994275
6-Amino-4-pyridin-3-yl-3-thiophen-2-yl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 618107
6-Amino-4-(2-chloro-6-fluoro-phenyl)-3-pyridin-2-yl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 630398
6-Amino-1-methyl-3-propyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 660117
6-Amino-3-(4-ethoxyphenyl)-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 664707
6-Amino-3-tert-butyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945699
6-Amino-1-(3-chlorophenyl)-3-methyl-4-(3-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 649721
6-amino-3-methyl-1-(4-methylphenyl)-4-(pyridin-4-yl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 655117
6-Amino-1-(3-chlorophenyl)-3-methyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 658561

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3156533) is 6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CC(C)(C)c1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)cc1.
What is the InChIKey of 6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is FCYOZHMHWVFJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-22(2,3)15-8-6-13(7-9-15)17-16(11-23)20(24)28-21-18(17)19(26-27-21)14-5-4-10-25-12-14/h4-10,12,17H,24H2,1-3H3,(H,26,27).
What are the key properties of 6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-tert-butylphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3156533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).