N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide

C19H20ClFN6O2 — CID 155180326

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide
SMILESC=CN/C=C(/Cc1nc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)co1)N(C)C
InChIInChI=1S/C19H20ClFN6O2/c1-4-22-8-12(26(2)3)7-16-25-15(10-29-16)19(28)23-9-14-18-17(21)13(20)5-6-27(18)11-24-14/h4-6,8,10-11,22H,1,7,9H2,2-3H3,(H,23,28)/b12-8-
InChIKeyJJNHQKHXNQBRRQ-WQLSENKSSA-N
MW418.86 g/mol
LogP2.72
Rot. Bonds8

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide (PubChem CID 155180326) has the molecular formula C19H20ClFN6O2 and a molecular weight of 418.86 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide
PubChem CID155180326
Molecular FormulaC19H20ClFN6O2
Molecular Weight418.86 g/mol
Exact Mass418.13
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide
SMILESC=CN/C=C(/Cc1nc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)co1)N(C)C
InChIInChI=1S/C19H20ClFN6O2/c1-4-22-8-12(26(2)3)7-16-25-15(10-29-16)19(28)23-9-14-18-17(21)13(20)5-6-27(18)11-24-14/h4-6,8,10-11,22H,1,7,9H2,2-3H3,(H,23,28)/b12-8-
InChIKeyJJNHQKHXNQBRRQ-WQLSENKSSA-N
XLogP2.72
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide (CID 155180326) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide is C=CN/C=C(/Cc1nc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)co1)N(C)C.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JJNHQKHXNQBRRQ-WQLSENKSSA-N. The full InChI is InChI=1S/C19H20ClFN6O2/c1-4-22-8-12(26(2)3)7-16-25-15(10-29-16)19(28)23-9-14-18-17(21)13(20)5-6-27(18)11-24-14/h4-6,8,10-11,22H,1,7,9H2,2-3H3,(H,23,28)/b12-8-.
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide has a molecular weight of 418.86 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155180326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).