2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide

C25H20ClF3N8O — CID 165131152

IUPAC2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide
SMILESO=C(Cc1ncn2ccc(Cl)cc12)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)nc(C(F)(F)F)n1
InChIInChI=1S/C25H20ClF3N8O/c26-16-5-6-36-13-31-18(19(36)7-16)8-23(38)33-21-9-20(34-24(35-21)25(27,28)29)30-10-17-12-37-11-15(14-1-2-14)3-4-22(37)32-17/h3-7,9,11-14H,1-2,8,10H2,(H2,30,33,34,35,38)
InChIKeyWWQFEBNTQVPEDF-UHFFFAOYSA-N
MW540.94 g/mol
LogP5.11
Rot. Bonds7

About 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide

2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide (PubChem CID 165131152) has the molecular formula C25H20ClF3N8O and a molecular weight of 540.94 g/mol. Its IUPAC name is 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide
PubChem CID165131152
Molecular FormulaC25H20ClF3N8O
Molecular Weight540.94 g/mol
Exact Mass540.14
IUPAC Name2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide
SMILESO=C(Cc1ncn2ccc(Cl)cc12)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)nc(C(F)(F)F)n1
InChIInChI=1S/C25H20ClF3N8O/c26-16-5-6-36-13-31-18(19(36)7-16)8-23(38)33-21-9-20(34-24(35-21)25(27,28)29)30-10-17-12-37-11-15(14-1-2-14)3-4-22(37)32-17/h3-7,9,11-14H,1-2,8,10H2,(H2,30,33,34,35,38)
InChIKeyWWQFEBNTQVPEDF-UHFFFAOYSA-N
XLogP5.11
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.94
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide (CID 165131152) is 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide is O=C(Cc1ncn2ccc(Cl)cc12)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide?
The InChIKey is WWQFEBNTQVPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N8O/c26-16-5-6-36-13-31-18(19(36)7-16)8-23(38)33-21-9-20(34-24(35-21)25(27,28)29)30-10-17-12-37-11-15(14-1-2-14)3-4-22(37)32-17/h3-7,9,11-14H,1-2,8,10H2,(H2,30,33,34,35,38).
What are the key properties of 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide?
2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide has a molecular weight of 540.94 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-(trifluoromethyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 165131152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).