(4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C12H11N5O — CID 1089866

IUPAC(4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1[nH]nc2c1[C@@H](c1ccoc1)C(C#N)=C(N)N2
InChIInChI=1S/C12H11N5O/c1-6-9-10(7-2-3-18-5-7)8(4-13)11(14)15-12(9)17-16-6/h2-3,5,10H,14H2,1H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyLJQGBSXGPPWDTF-JTQLQIEISA-N
MW241.25 g/mol
LogP1.56
Rot. Bonds1

About (4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

(4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 1089866) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is (4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID1089866
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name(4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1[nH]nc2c1[C@@H](c1ccoc1)C(C#N)=C(N)N2
InChIInChI=1S/C12H11N5O/c1-6-9-10(7-2-3-18-5-7)8(4-13)11(14)15-12(9)17-16-6/h2-3,5,10H,14H2,1H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyLJQGBSXGPPWDTF-JTQLQIEISA-N
XLogP1.56
TPSA103.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-4-(furan-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645331
(4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40608116
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
6,10-dimethyl-8-(4-methylphenyl)-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137193910
(4S)-6-amino-4-(furan-3-yl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 975032
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952
4-(6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-8-yl)phenol
CID 137178180
(4S)-6-amino-3-methyl-4-[4-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 691815
6-amino-4-[4-(dimethylamino)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2837627
6-amino-3-methyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4287209
6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600130
[4-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] acetate
CID 689131

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of (4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 1089866) is (4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is Cc1[nH]nc2c1[C@@H](c1ccoc1)C(C#N)=C(N)N2.
What is the InChIKey of (4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is LJQGBSXGPPWDTF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11N5O/c1-6-9-10(7-2-3-18-5-7)8(4-13)11(14)15-12(9)17-16-6/h2-3,5,10H,14H2,1H3,(H2,15,16,17)/t10-/m0/s1.
What are the key properties of (4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
(4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-(furan-3-yl)-3-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 1089866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).