N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide

C26H27ClN4O3 — CID 22095779

IUPACN-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(=O)c2nc3c(Cl)c(C)[nH]n3c2C)c1
InChIInChI=1S/C26H27ClN4O3/c1-6-20(34-21-11-10-14(2)12-15(21)3)26(33)28-19-9-7-8-18(13-19)24(32)23-17(5)31-25(29-23)22(27)16(4)30-31/h7-13,20,30H,6H2,1-5H3,(H,28,33)
InChIKeyPRELCWJMDJVCDN-UHFFFAOYSA-N
MW478.98 g/mol
LogP5.58
Rot. Bonds7

About N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide

N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide (PubChem CID 22095779) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide
PubChem CID22095779
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC NameN-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(=O)c2nc3c(Cl)c(C)[nH]n3c2C)c1
InChIInChI=1S/C26H27ClN4O3/c1-6-20(34-21-11-10-14(2)12-15(21)3)26(33)28-19-9-7-8-18(13-19)24(32)23-17(5)31-25(29-23)22(27)16(4)30-31/h7-13,20,30H,6H2,1-5H3,(H,28,33)
InChIKeyPRELCWJMDJVCDN-UHFFFAOYSA-N
XLogP5.58
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide?
The IUPAC name of N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide (CID 22095779) is N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide is CCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(=O)c2nc3c(Cl)c(C)[nH]n3c2C)c1.
What is the InChIKey of N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide?
The InChIKey is PRELCWJMDJVCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-6-20(34-21-11-10-14(2)12-15(21)3)26(33)28-19-9-7-8-18(13-19)24(32)23-17(5)31-25(29-23)22(27)16(4)30-31/h7-13,20,30H,6H2,1-5H3,(H,28,33).
What are the key properties of N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide?
N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide has a molecular weight of 478.98 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-chloro-3,6-dimethyl-5H-imidazo[1,2-b]pyrazole-2-carbonyl)phenyl]-2-(2,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 22095779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).