N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C25H21F3N4O3 — CID 121231204

IUPACN-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c2cnccc21
InChIInChI=1S/C25H21F3N4O3/c1-15(14-33)32-13-21(20-12-29-7-6-22(20)32)24(35)17-9-19(11-30-10-17)31-23(34)8-16-2-4-18(5-3-16)25(26,27)28/h2-7,9-13,15,33H,8,14H2,1H3,(H,31,34)
InChIKeyKULCYZOAYJNEOC-UHFFFAOYSA-N
MW482.46 g/mol
LogP4.42
Rot. Bonds7

About N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 121231204) has the molecular formula C25H21F3N4O3 and a molecular weight of 482.46 g/mol. Its IUPAC name is N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID121231204
Molecular FormulaC25H21F3N4O3
Molecular Weight482.46 g/mol
Exact Mass482.16
IUPAC NameN-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c2cnccc21
InChIInChI=1S/C25H21F3N4O3/c1-15(14-33)32-13-21(20-12-29-7-6-22(20)32)24(35)17-9-19(11-30-10-17)31-23(34)8-16-2-4-18(5-3-16)25(26,27)28/h2-7,9-13,15,33H,8,14H2,1H3,(H,31,34)
InChIKeyKULCYZOAYJNEOC-UHFFFAOYSA-N
XLogP4.42
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 121231204) is N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c2cnccc21.
What is the InChIKey of N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KULCYZOAYJNEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3/c1-15(14-33)32-13-21(20-12-29-7-6-22(20)32)24(35)17-9-19(11-30-10-17)31-23(34)8-16-2-4-18(5-3-16)25(26,27)28/h2-7,9-13,15,33H,8,14H2,1H3,(H,31,34).
What are the key properties of N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 482.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 121231204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).