N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide

C23H21FN6O3 — CID 25127855

IUPACN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)ccc2F)n(C)n1
InChIInChI=1S/C23H21FN6O3/c1-13-9-19(29(2)28-13)23(32)25-18-10-15(5-7-17(18)24)33-16-6-8-21-26-20(12-30(21)11-16)27-22(31)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,25,32)(H,27,31)
InChIKeyIQOCRHJXONCYDX-UHFFFAOYSA-N
MW448.46 g/mol
LogP3.91
Rot. Bonds6

About N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 25127855) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID25127855
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC NameN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)ccc2F)n(C)n1
InChIInChI=1S/C23H21FN6O3/c1-13-9-19(29(2)28-13)23(32)25-18-10-15(5-7-17(18)24)33-16-6-8-21-26-20(12-30(21)11-16)27-22(31)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,25,32)(H,27,31)
InChIKeyIQOCRHJXONCYDX-UHFFFAOYSA-N
XLogP3.91
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 25127855) is N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)ccc2F)n(C)n1.
What is the InChIKey of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is IQOCRHJXONCYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-13-9-19(29(2)28-13)23(32)25-18-10-15(5-7-17(18)24)33-16-6-8-21-26-20(12-30(21)11-16)27-22(31)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,25,32)(H,27,31).
What are the key properties of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 448.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 25127855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).