2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide

C21H21F2N7O2 — CID 166803636

IUPAC2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nc(C(F)F)cn3c2)c(=O)c2cc(C3CC3)nn12
InChIInChI=1S/C21H21F2N7O2/c1-11(2)20-27-29(21(32)16-7-14(12-3-4-12)26-30(16)20)10-18(31)24-13-5-6-17-25-15(19(22)23)9-28(17)8-13/h5-9,11-12,19H,3-4,10H2,1-2H3,(H,24,31)
InChIKeyPKMHWCMXVVHWAM-UHFFFAOYSA-N
MW441.44 g/mol
LogP3.12
Rot. Bonds6

About 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide

2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 166803636) has the molecular formula C21H21F2N7O2 and a molecular weight of 441.44 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID166803636
Molecular FormulaC21H21F2N7O2
Molecular Weight441.44 g/mol
Exact Mass441.17
IUPAC Name2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nc(C(F)F)cn3c2)c(=O)c2cc(C3CC3)nn12
InChIInChI=1S/C21H21F2N7O2/c1-11(2)20-27-29(21(32)16-7-14(12-3-4-12)26-30(16)20)10-18(31)24-13-5-6-17-25-15(19(22)23)9-28(17)8-13/h5-9,11-12,19H,3-4,10H2,1-2H3,(H,24,31)
InChIKeyPKMHWCMXVVHWAM-UHFFFAOYSA-N
XLogP3.12
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide?
The IUPAC name of 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide (CID 166803636) is 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide?
The canonical SMILES for 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide is CC(C)c1nn(CC(=O)Nc2ccc3nc(C(F)F)cn3c2)c(=O)c2cc(C3CC3)nn12.
What is the InChIKey of 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is PKMHWCMXVVHWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O2/c1-11(2)20-27-29(21(32)16-7-14(12-3-4-12)26-30(16)20)10-18(31)24-13-5-6-17-25-15(19(22)23)9-28(17)8-13/h5-9,11-12,19H,3-4,10H2,1-2H3,(H,24,31).
What are the key properties of 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide?
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 441.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 166803636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).