2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide

C23H22F2N6O — CID 134327960

IUPAC2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)cc(NC(=O)CC5CCCC5)cc4F)cc23)cn1
InChIInChI=1S/C23H22F2N6O/c1-31-12-14(10-27-31)23-16-9-19(26-11-20(16)29-30-23)22-17(24)7-15(8-18(22)25)28-21(32)6-13-4-2-3-5-13/h7-13H,2-6H2,1H3,(H,28,32)(H,29,30)
InChIKeyNDDKFPHSOFNQFX-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.82
Rot. Bonds5

About 2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide

2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide (PubChem CID 134327960) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide
PubChem CID134327960
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC Name2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)cc(NC(=O)CC5CCCC5)cc4F)cc23)cn1
InChIInChI=1S/C23H22F2N6O/c1-31-12-14(10-27-31)23-16-9-19(26-11-20(16)29-30-23)22-17(24)7-15(8-18(22)25)28-21(32)6-13-4-2-3-5-13/h7-13H,2-6H2,1H3,(H,28,32)(H,29,30)
InChIKeyNDDKFPHSOFNQFX-UHFFFAOYSA-N
XLogP4.82
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 9934283
CID 9934283
CID 54671061
CID 54671061
CID 10272623
CID 10272623
CID 11698163
CID 11698163
CID 54670694
CID 54670694
CID 54670695
CID 54670695
CID 134327779
CID 134327779
CID 134327831
CID 134327831
CID 134327878
CID 134327878
CID 134327888
CID 134327888
CID 134328239
CID 134328239
CID 9891972
CID 9891972

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide (CID 134327960) is 2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide is Cn1cc(-c2n[nH]c3cnc(-c4c(F)cc(NC(=O)CC5CCCC5)cc4F)cc23)cn1.
What is the InChIKey of 2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
The InChIKey is NDDKFPHSOFNQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c1-31-12-14(10-27-31)23-16-9-19(26-11-20(16)29-30-23)22-17(24)7-15(8-18(22)25)28-21(32)6-13-4-2-3-5-13/h7-13H,2-6H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide?
2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide has a molecular weight of 436.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 134327960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).