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

C23H22N6O3 — CID 25127854

IUPACN-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c2)n(C)n1
InChIInChI=1S/C23H22N6O3/c1-14-10-19(28(2)27-14)23(31)24-16-4-3-5-17(11-16)32-18-8-9-21-25-20(13-29(21)12-18)26-22(30)15-6-7-15/h3-5,8-13,15H,6-7H2,1-2H3,(H,24,31)(H,26,30)
InChIKeyUYWCBKUMESQOKL-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.77
Rot. Bonds6

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

N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 25127854) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID25127854
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC NameN-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c2)n(C)n1
InChIInChI=1S/C23H22N6O3/c1-14-10-19(28(2)27-14)23(31)24-16-4-3-5-17(11-16)32-18-8-9-21-25-20(13-29(21)12-18)26-22(30)15-6-7-15/h3-5,8-13,15H,6-7H2,1-2H3,(H,24,31)(H,26,30)
InChIKeyUYWCBKUMESQOKL-UHFFFAOYSA-N
XLogP3.77
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 25127854) is N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c2)n(C)n1.
What is the InChIKey of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is UYWCBKUMESQOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-14-10-19(28(2)27-14)23(31)24-16-4-3-5-17(11-16)32-18-8-9-21-25-20(13-29(21)12-18)26-22(30)15-6-7-15/h3-5,8-13,15H,6-7H2,1-2H3,(H,24,31)(H,26,30).
What are the key properties of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 25127854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).