4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile

C24H22F3N5O3 — CID 155727298

IUPAC4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile
SMILESC#N.COc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F
InChIInChI=1S/C23H21F3N4O3.CHN/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24;1-2/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31);1H
InChIKeyTYOTXMKPCZCMBX-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.39
Rot. Bonds7

About 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile

4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile (PubChem CID 155727298) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile.

Molecular Properties

Compound Name4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile
PubChem CID155727298
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile
SMILESC#N.COc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F
InChIInChI=1S/C23H21F3N4O3.CHN/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24;1-2/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31);1H
InChIKeyTYOTXMKPCZCMBX-UHFFFAOYSA-N
XLogP4.39
TPSA112.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile?
The IUPAC name of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile (CID 155727298) is 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile.
What is the SMILES notation for 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile?
The canonical SMILES for 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile is C#N.COc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(OC(F)F)c1C(=O)NC1CC1F.
What is the InChIKey of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile?
The InChIKey is TYOTXMKPCZCMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3.CHN/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24;1-2/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31);1H.
What are the key properties of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile?
4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile has a molecular weight of 485.47 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile is sourced from PubChem (CID 155727298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).