N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide

C28H22F2N4O — CID 170351721

IUPACN-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C(F)F)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22F2N4O/c1-19(35)32-25-17-24-23(18-31-25)26(27(29)30)33-34(24)28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,27H,1H3,(H,31,32,35)
InChIKeyDHFJKGQOVRSDNK-UHFFFAOYSA-N
MW468.51 g/mol
LogP6.17
Rot. Bonds6

About N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170351721) has the molecular formula C28H22F2N4O and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170351721
Molecular FormulaC28H22F2N4O
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC NameN-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C(F)F)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22F2N4O/c1-19(35)32-25-17-24-23(18-31-25)26(27(29)30)33-34(24)28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,27H,1H3,(H,31,32,35)
InChIKeyDHFJKGQOVRSDNK-UHFFFAOYSA-N
XLogP6.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(3-iodo-1-tritylpyrazolo[3,4-c]pyridin-5-yl)carbamic acid
CID 141079201
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 157271075
1-(1-phenylethyl)-3-[3-(pyridin-3-ylmethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 118271502
6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine
CID 118272406
6-chloro-N-(1,1,1-trifluoropropan-2-yl)-1-tritylpyrazolo[4,3-c]pyridin-3-amine;methane
CID 158560990
N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577851
6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
CID 161440732
N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351719
6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine
CID 118272494
1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123850949
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
1-[3,4-bis(hydroxymethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 118168992

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170351721) is N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(C(F)F)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is DHFJKGQOVRSDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N4O/c1-19(35)32-25-17-24-23(18-31-25)26(27(29)30)33-34(24)28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,27H,1H3,(H,31,32,35).
What are the key properties of N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 468.51 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170351721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).