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

C26H23F3N4O3 — CID 121231202

IUPACN-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c2cnccc21
InChIInChI=1S/C26H23F3N4O3/c1-25(2,15-34)33-14-21(20-13-30-8-7-22(20)33)24(36)17-10-19(12-31-11-17)32-23(35)9-16-3-5-18(6-4-16)26(27,28)29/h3-8,10-14,34H,9,15H2,1-2H3,(H,32,35)
InChIKeyWCZASCVBUFSGKL-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.59
Rot. Bonds7

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

N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 121231202) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID121231202
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC NameN-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c2cnccc21
InChIInChI=1S/C26H23F3N4O3/c1-25(2,15-34)33-14-21(20-13-30-8-7-22(20)33)24(36)17-10-19(12-31-11-17)32-23(35)9-16-3-5-18(6-4-16)26(27,28)29/h3-8,10-14,34H,9,15H2,1-2H3,(H,32,35)
InChIKeyWCZASCVBUFSGKL-UHFFFAOYSA-N
XLogP4.59
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 507751
CID 507751
CID 507791
CID 507791
CID 5495828
CID 5495828
CID 9820865
CID 9820865
CID 11626094
CID 11626094
CID 44158682
CID 44158682
CID 44158683
CID 44158683
CID 44158791
CID 44158791
CID 44158908
CID 44158908
CID 44158910
CID 44158910
CID 44159020
CID 44159020
CID 44159021
CID 44159021

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 121231202) is N-[5-[1-(1-hydroxy-2-methylpropan-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-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c2cnccc21.
What is the InChIKey of N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WCZASCVBUFSGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c1-25(2,15-34)33-14-21(20-13-30-8-7-22(20)33)24(36)17-10-19(12-31-11-17)32-23(35)9-16-3-5-18(6-4-16)26(27,28)29/h3-8,10-14,34H,9,15H2,1-2H3,(H,32,35).
What are the key properties of N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 496.49 g/mol, XLogP of 4.59, 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-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 121231202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).