N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide

C17H17ClF3N7O2 — CID 170795243

IUPACN-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)c(F)c2c1c(C1CNNC1)cn2-c1cn(CCO)nn1)C(F)F
InChIInChI=1S/C17H17ClF3N7O2/c18-10-3-11(24-17(30)16(20)21)13-9(8-4-22-23-5-8)6-28(15(13)14(10)19)12-7-27(1-2-29)26-25-12/h3,6-8,16,22-23,29H,1-2,4-5H2,(H,24,30)
InChIKeyPOSCNBYJLCOWJU-UHFFFAOYSA-N
MW443.82 g/mol
LogP1.40
Rot. Bonds6

About N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide

N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide (PubChem CID 170795243) has the molecular formula C17H17ClF3N7O2 and a molecular weight of 443.82 g/mol. Its IUPAC name is N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide
PubChem CID170795243
Molecular FormulaC17H17ClF3N7O2
Molecular Weight443.82 g/mol
Exact Mass443.11
IUPAC NameN-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)c(F)c2c1c(C1CNNC1)cn2-c1cn(CCO)nn1)C(F)F
InChIInChI=1S/C17H17ClF3N7O2/c18-10-3-11(24-17(30)16(20)21)13-9(8-4-22-23-5-8)6-28(15(13)14(10)19)12-7-27(1-2-29)26-25-12/h3,6-8,16,22-23,29H,1-2,4-5H2,(H,24,30)
InChIKeyPOSCNBYJLCOWJU-UHFFFAOYSA-N
XLogP1.40
TPSA109.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.82
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

US20230391786, Example 173
CID 170795244
US20230391786, Example 218
CID 170795255
US20230391786, Example 138
CID 170795235
US20230391786, Example 140
CID 170795236
US20230391786, Example 198
CID 170795247
US20230391786, Example 199
CID 170795248
US20230391786, Example 200
CID 170795249
US20230391786, Example 201
CID 170795250
US20230391786, Example 227
CID 170795256
US20230391786, Example 228
CID 170795257
US20230391786, Example 229
CID 170795258
6-Chloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indole
CID 170795259

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide (CID 170795243) is N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide is O=C(Nc1cc(Cl)c(F)c2c1c(C1CNNC1)cn2-c1cn(CCO)nn1)C(F)F.
What is the InChIKey of N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide?
The InChIKey is POSCNBYJLCOWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N7O2/c18-10-3-11(24-17(30)16(20)21)13-9(8-4-22-23-5-8)6-28(15(13)14(10)19)12-7-27(1-2-29)26-25-12/h3,6-8,16,22-23,29H,1-2,4-5H2,(H,24,30).
What are the key properties of N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide?
N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide has a molecular weight of 443.82 g/mol, XLogP of 1.40, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-7-fluoro-1-[1-(2-hydroxyethyl)triazol-4-yl]-3-pyrazolidin-4-ylindol-4-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 170795243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).