(7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile

C19H15N5O — CID 7378440

IUPAC(7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESCc1nc2c(o1)N(c1cccnc1)C(N)=C(C#N)[C@H]2c1ccccc1
InChIInChI=1S/C19H15N5O/c1-12-23-17-16(13-6-3-2-4-7-13)15(10-20)18(21)24(19(17)25-12)14-8-5-9-22-11-14/h2-9,11,16H,21H2,1H3/t16-/m1/s1
InChIKeyZKVLUEROZWDEQG-MRXNPFEDSA-N
MW329.36 g/mol
LogP3.36
Rot. Bonds2

About (7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile

(7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (PubChem CID 7378440) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is (7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name(7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
PubChem CID7378440
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name(7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESCc1nc2c(o1)N(c1cccnc1)C(N)=C(C#N)[C@H]2c1ccccc1
InChIInChI=1S/C19H15N5O/c1-12-23-17-16(13-6-3-2-4-7-13)15(10-20)18(21)24(19(17)25-12)14-8-5-9-22-11-14/h2-9,11,16H,21H2,1H3/t16-/m1/s1
InChIKeyZKVLUEROZWDEQG-MRXNPFEDSA-N
XLogP3.36
TPSA91.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The IUPAC name of (7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (CID 7378440) is (7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for (7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The canonical SMILES for (7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is Cc1nc2c(o1)N(c1cccnc1)C(N)=C(C#N)[C@H]2c1ccccc1.
What is the InChIKey of (7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The InChIKey is ZKVLUEROZWDEQG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H15N5O/c1-12-23-17-16(13-6-3-2-4-7-13)15(10-20)18(21)24(19(17)25-12)14-8-5-9-22-11-14/h2-9,11,16H,21H2,1H3/t16-/m1/s1.
What are the key properties of (7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
(7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile has a molecular weight of 329.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-amino-2-methyl-7-phenyl-4-pyridin-3-yl-7H-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 7378440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).