6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide

C25H19ClN4O5 — CID 171611155

IUPAC6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
SMILESCc1cc([C@@H](C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cnc4ocnc4c3)c(C)c(=O)c2c1
InChIInChI=1S/C25H19ClN4O5/c1-11-6-15(13(3)34-18-4-5-19(26)30-20(18)24(27)32)23-16(7-11)21(31)12(2)22(35-23)14-8-17-25(28-9-14)33-10-29-17/h4-10,13H,1-3H3,(H2,27,32)/t13-/m1/s1
InChIKeyPJUAUOYQORRFBG-CYBMUJFWSA-N
MW490.90 g/mol
LogP4.90
Rot. Bonds5

About 6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide

6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide (PubChem CID 171611155) has the molecular formula C25H19ClN4O5 and a molecular weight of 490.90 g/mol. Its IUPAC name is 6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
PubChem CID171611155
Molecular FormulaC25H19ClN4O5
Molecular Weight490.90 g/mol
Exact Mass490.10
IUPAC Name6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
SMILESCc1cc([C@@H](C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cnc4ocnc4c3)c(C)c(=O)c2c1
InChIInChI=1S/C25H19ClN4O5/c1-11-6-15(13(3)34-18-4-5-19(26)30-20(18)24(27)32)23-16(7-11)21(31)12(2)22(35-23)14-8-17-25(28-9-14)33-10-29-17/h4-10,13H,1-3H3,(H2,27,32)/t13-/m1/s1
InChIKeyPJUAUOYQORRFBG-CYBMUJFWSA-N
XLogP4.90
TPSA134.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.90
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide (CID 171611155) is 6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide is Cc1cc([C@@H](C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cnc4ocnc4c3)c(C)c(=O)c2c1.
What is the InChIKey of 6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
The InChIKey is PJUAUOYQORRFBG-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H19ClN4O5/c1-11-6-15(13(3)34-18-4-5-19(26)30-20(18)24(27)32)23-16(7-11)21(31)12(2)22(35-23)14-8-17-25(28-9-14)33-10-29-17/h4-10,13H,1-3H3,(H2,27,32)/t13-/m1/s1.
What are the key properties of 6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide has a molecular weight of 490.90 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1R)-1-[3,6-dimethyl-2-([1,3]oxazolo[5,4-b]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 171611155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).