4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide

C18H16F3N5O3S — CID 118357098

IUPAC4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1nc(-c2ccc3nc(NC(=O)C4CC4)cn3c2)cs1
InChIInChI=1S/C18H16F3N5O3S/c19-18(20,21)12(27)5-22-16(29)17-23-11(8-30-17)10-3-4-14-24-13(7-26(14)6-10)25-15(28)9-1-2-9/h3-4,6-9,12,27H,1-2,5H2,(H,22,29)(H,25,28)
InChIKeyRMCXZPGCXBNTNC-UHFFFAOYSA-N
MW439.42 g/mol
LogP2.46
Rot. Bonds6

About 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide

4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide (PubChem CID 118357098) has the molecular formula C18H16F3N5O3S and a molecular weight of 439.42 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide
PubChem CID118357098
Molecular FormulaC18H16F3N5O3S
Molecular Weight439.42 g/mol
Exact Mass439.09
IUPAC Name4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1nc(-c2ccc3nc(NC(=O)C4CC4)cn3c2)cs1
InChIInChI=1S/C18H16F3N5O3S/c19-18(20,21)12(27)5-22-16(29)17-23-11(8-30-17)10-3-4-14-24-13(7-26(14)6-10)25-15(28)9-1-2-9/h3-4,6-9,12,27H,1-2,5H2,(H,22,29)(H,25,28)
InChIKeyRMCXZPGCXBNTNC-UHFFFAOYSA-N
XLogP2.46
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide (CID 118357098) is 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide is O=C(NCC(O)C(F)(F)F)c1nc(-c2ccc3nc(NC(=O)C4CC4)cn3c2)cs1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is RMCXZPGCXBNTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3S/c19-18(20,21)12(27)5-22-16(29)17-23-11(8-30-17)10-3-4-14-24-13(7-26(14)6-10)25-15(28)9-1-2-9/h3-4,6-9,12,27H,1-2,5H2,(H,22,29)(H,25,28).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide?
4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118357098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).