2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide

C22H23F2N5O2 — CID 67209430

IUPAC2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide
SMILESCc1ccc2c(n1)CCC2NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1
InChIInChI=1S/C22H23F2N5O2/c1-11-3-6-13-15(25-11)7-8-16(13)26-17(30)10-31-18-9-14(21(23)24)19-20(12-4-5-12)28-29(2)22(19)27-18/h3,6,9,12,16,21H,4-5,7-8,10H2,1-2H3,(H,26,30)
InChIKeyBEZZNQFBPGIIIH-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.67
Rot. Bonds6

About 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide

2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide (PubChem CID 67209430) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide
PubChem CID67209430
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Name2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide
SMILESCc1ccc2c(n1)CCC2NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1
InChIInChI=1S/C22H23F2N5O2/c1-11-3-6-13-15(25-11)7-8-16(13)26-17(30)10-31-18-9-14(21(23)24)19-20(12-4-5-12)28-29(2)22(19)27-18/h3,6,9,12,16,21H,4-5,7-8,10H2,1-2H3,(H,26,30)
InChIKeyBEZZNQFBPGIIIH-UHFFFAOYSA-N
XLogP3.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide (CID 67209430) is 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide is Cc1ccc2c(n1)CCC2NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1.
What is the InChIKey of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide?
The InChIKey is BEZZNQFBPGIIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-11-3-6-13-15(25-11)7-8-16(13)26-17(30)10-31-18-9-14(21(23)24)19-20(12-4-5-12)28-29(2)22(19)27-18/h3,6,9,12,16,21H,4-5,7-8,10H2,1-2H3,(H,26,30).
What are the key properties of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide?
2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide is sourced from PubChem (CID 67209430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).