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

C24H24N6O3 — CID 57749112

IUPACN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCC1=C(C=C(C=C1)OC2=CN3C=C(N=C3C=C2)NC(=O)C4CC4)NC(=O)C5=CC(=NN5C)C
InChIInChI=1S/C24H24N6O3/c1-14-4-7-17(11-19(14)25-24(32)20-10-15(2)28-29(20)3)33-18-8-9-22-26-21(13-30(22)12-18)27-23(31)16-5-6-16/h4,7-13,16H,5-6H2,1-3H3,(H,25,32)(H,27,31)
InChIKeyWKKWYWWWMKPVRT-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.50
Rot. Bonds6

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

N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 57749112) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID57749112
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCC1=C(C=C(C=C1)OC2=CN3C=C(N=C3C=C2)NC(=O)C4CC4)NC(=O)C5=CC(=NN5C)C
InChIInChI=1S/C24H24N6O3/c1-14-4-7-17(11-19(14)25-24(32)20-10-15(2)28-29(20)3)33-18-8-9-22-26-21(13-30(22)12-18)27-23(31)16-5-6-16/h4,7-13,16H,5-6H2,1-3H3,(H,25,32)(H,27,31)
InChIKeyWKKWYWWWMKPVRT-UHFFFAOYSA-N
XLogP3.50
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity733

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 57749112) is N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide is CC1=C(C=C(C=C1)OC2=CN3C=C(N=C3C=C2)NC(=O)C4CC4)NC(=O)C5=CC(=NN5C)C.
What is the InChIKey of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is WKKWYWWWMKPVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-14-4-7-17(11-19(14)25-24(32)20-10-15(2)28-29(20)3)33-18-8-9-22-26-21(13-30(22)12-18)27-23(31)16-5-6-16/h4,7-13,16H,5-6H2,1-3H3,(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-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 57749112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).