(4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H13N5O2 — CID 788499

IUPAC(4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1[C@@H](c1ccc(-c3ccccc3C#N)o1)C(C#N)=C(N)O2
InChIInChI=1S/C19H13N5O2/c1-10-16-17(13(9-21)18(22)26-19(16)24-23-10)15-7-6-14(25-15)12-5-3-2-4-11(12)8-20/h2-7,17H,22H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyLQCITFUQIIMVHZ-QGZVFWFLSA-N
MW343.35 g/mol
LogP3.07
Rot. Bonds2

About (4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 788499) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is (4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID788499
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name(4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1[C@@H](c1ccc(-c3ccccc3C#N)o1)C(C#N)=C(N)O2
InChIInChI=1S/C19H13N5O2/c1-10-16-17(13(9-21)18(22)26-19(16)24-23-10)15-7-6-14(25-15)12-5-3-2-4-11(12)8-20/h2-7,17H,22H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyLQCITFUQIIMVHZ-QGZVFWFLSA-N
XLogP3.07
TPSA124.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol
CID 126476362
6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3158963
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(4R)-6-amino-4-[5-(2-methyl-3-nitrophenyl)furan-2-yl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1287756
[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate
CID 171985987
(4S)-6-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 719869
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952
(4S)-6-amino-4-[3,5-dibromo-4-[(2-cyanophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 126154789
6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600130
(4S)-6-amino-3-(4-methoxyphenyl)-4-[5-(2-methyl-3-nitrophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 51618479
(4S)-6-amino-3-methyl-4-(2,3,5,6-tetramethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 6940547
6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156221

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 788499) is (4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1[C@@H](c1ccc(-c3ccccc3C#N)o1)C(C#N)=C(N)O2.
What is the InChIKey of (4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is LQCITFUQIIMVHZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H13N5O2/c1-10-16-17(13(9-21)18(22)26-19(16)24-23-10)15-7-6-14(25-15)12-5-3-2-4-11(12)8-20/h2-7,17H,22H2,1H3,(H,23,24)/t17-/m1/s1.
What are the key properties of (4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 343.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 788499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).