3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide

C19H17ClFN5O3 — CID 134192321

IUPAC3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESNC(=O)c1nc(CC(=O)NCC(=O)NCc2cccc(Cl)c2F)n2ccccc12
InChIInChI=1S/C19H17ClFN5O3/c20-12-5-3-4-11(17(12)21)9-23-16(28)10-24-15(27)8-14-25-18(19(22)29)13-6-1-2-7-26(13)14/h1-7H,8-10H2,(H2,22,29)(H,23,28)(H,24,27)
InChIKeyXGPXBXPTTDOXGE-UHFFFAOYSA-N
MW417.83 g/mol
LogP1.20
Rot. Bonds7

About 3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide

3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 134192321) has the molecular formula C19H17ClFN5O3 and a molecular weight of 417.83 g/mol. Its IUPAC name is 3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID134192321
Molecular FormulaC19H17ClFN5O3
Molecular Weight417.83 g/mol
Exact Mass417.10
IUPAC Name3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESNC(=O)c1nc(CC(=O)NCC(=O)NCc2cccc(Cl)c2F)n2ccccc12
InChIInChI=1S/C19H17ClFN5O3/c20-12-5-3-4-11(17(12)21)9-23-16(28)10-24-15(27)8-14-25-18(19(22)29)13-6-1-2-7-26(13)14/h1-7H,8-10H2,(H2,22,29)(H,23,28)(H,24,27)
InChIKeyXGPXBXPTTDOXGE-UHFFFAOYSA-N
XLogP1.20
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.83
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 134192321) is 3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide is NC(=O)c1nc(CC(=O)NCC(=O)NCc2cccc(Cl)c2F)n2ccccc12.
What is the InChIKey of 3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is XGPXBXPTTDOXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O3/c20-12-5-3-4-11(17(12)21)9-23-16(28)10-24-15(27)8-14-25-18(19(22)29)13-6-1-2-7-26(13)14/h1-7H,8-10H2,(H2,22,29)(H,23,28)(H,24,27).
What are the key properties of 3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 417.83 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 134192321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).