N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide

C14H10Cl2F2N4O2 — CID 170427659

IUPACN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide
SMILESO=C(Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12)C(F)(F)CO
InChIInChI=1S/C14H10Cl2F2N4O2/c15-8-1-9(22-13(24)14(17,18)5-23)10-7(6-2-20-21-3-6)4-19-12(10)11(8)16/h1-4,19,23H,5H2,(H,20,21)(H,22,24)
InChIKeyMTSMXSFNSSYYBX-UHFFFAOYSA-N
MW375.16 g/mol
LogP3.43
Rot. Bonds4

About N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide

N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide (PubChem CID 170427659) has the molecular formula C14H10Cl2F2N4O2 and a molecular weight of 375.16 g/mol. Its IUPAC name is N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide
PubChem CID170427659
Molecular FormulaC14H10Cl2F2N4O2
Molecular Weight375.16 g/mol
Exact Mass374.01
IUPAC NameN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide
SMILESO=C(Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12)C(F)(F)CO
InChIInChI=1S/C14H10Cl2F2N4O2/c15-8-1-9(22-13(24)14(17,18)5-23)10-7(6-2-20-21-3-6)4-19-12(10)11(8)16/h1-4,19,23H,5H2,(H,20,21)(H,22,24)
InChIKeyMTSMXSFNSSYYBX-UHFFFAOYSA-N
XLogP3.43
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide with MolForge

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Related Compounds

1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
CID 138393371
US20230391786, Example 273
CID 170426661
US20230391786, Example 170
CID 170426687
US20230391786, Example 276
CID 170426803
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 225
CID 170426951
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 337
CID 170427186

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide?
The IUPAC name of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide (CID 170427659) is N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide.
What is the SMILES notation for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide?
The canonical SMILES for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide is O=C(Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12)C(F)(F)CO.
What is the InChIKey of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide?
The InChIKey is MTSMXSFNSSYYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N4O2/c15-8-1-9(22-13(24)14(17,18)5-23)10-7(6-2-20-21-3-6)4-19-12(10)11(8)16/h1-4,19,23H,5H2,(H,20,21)(H,22,24).
What are the key properties of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide?
N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide has a molecular weight of 375.16 g/mol, XLogP of 3.43, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoro-3-hydroxypropanamide is sourced from PubChem (CID 170427659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).