1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide

C20H21ClF2N4O3 — CID 121451118

IUPAC1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide
SMILESCCC(C)c1ncn2c(C(=O)NCc3c(OC(F)F)cc(C)[nH]c3=O)cc(Cl)cc12
InChIInChI=1S/C20H21ClF2N4O3/c1-4-10(2)17-14-6-12(21)7-15(27(14)9-25-17)19(29)24-8-13-16(30-20(22)23)5-11(3)26-18(13)28/h5-7,9-10,20H,4,8H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyLYDCDBGYJFVRSG-UHFFFAOYSA-N
MW438.86 g/mol
LogP4.03
Rot. Bonds7

About 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide

1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 121451118) has the molecular formula C20H21ClF2N4O3 and a molecular weight of 438.86 g/mol. Its IUPAC name is 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide
PubChem CID121451118
Molecular FormulaC20H21ClF2N4O3
Molecular Weight438.86 g/mol
Exact Mass438.13
IUPAC Name1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide
SMILESCCC(C)c1ncn2c(C(=O)NCc3c(OC(F)F)cc(C)[nH]c3=O)cc(Cl)cc12
InChIInChI=1S/C20H21ClF2N4O3/c1-4-10(2)17-14-6-12(21)7-15(27(14)9-25-17)19(29)24-8-13-16(30-20(22)23)5-11(3)26-18(13)28/h5-7,9-10,20H,4,8H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyLYDCDBGYJFVRSG-UHFFFAOYSA-N
XLogP4.03
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide (CID 121451118) is 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide is CCC(C)c1ncn2c(C(=O)NCc3c(OC(F)F)cc(C)[nH]c3=O)cc(Cl)cc12.
What is the InChIKey of 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide?
The InChIKey is LYDCDBGYJFVRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N4O3/c1-4-10(2)17-14-6-12(21)7-15(27(14)9-25-17)19(29)24-8-13-16(30-20(22)23)5-11(3)26-18(13)28/h5-7,9-10,20H,4,8H2,1-3H3,(H,24,29)(H,26,28).
What are the key properties of 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide?
1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 438.86 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-7-chloro-N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]imidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 121451118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).