N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C23H21F3N4O — CID 159922683

IUPACN-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)n1cc(-c2cnc3c(c2)C(NC(=O)Cc2ccc(C(F)(F)F)cc2)=CC3)cn1
InChIInChI=1S/C23H21F3N4O/c1-14(2)30-13-17(12-28-30)16-10-19-20(27-11-16)7-8-21(19)29-22(31)9-15-3-5-18(6-4-15)23(24,25)26/h3-6,8,10-14H,7,9H2,1-2H3,(H,29,31)
InChIKeyNYPNBKQAGCHNNS-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.80
Rot. Bonds5

About N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 159922683) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID159922683
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC NameN-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)n1cc(-c2cnc3c(c2)C(NC(=O)Cc2ccc(C(F)(F)F)cc2)=CC3)cn1
InChIInChI=1S/C23H21F3N4O/c1-14(2)30-13-17(12-28-30)16-10-19-20(27-11-16)7-8-21(19)29-22(31)9-15-3-5-18(6-4-15)23(24,25)26/h3-6,8,10-14H,7,9H2,1-2H3,(H,29,31)
InChIKeyNYPNBKQAGCHNNS-UHFFFAOYSA-N
XLogP4.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(6-morpholin-4-yl-3-pyridinyl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
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CID 146720800
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134808074
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CID 103825746
2-(1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)aniline
CID 170835769
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CID 122301631
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CID 21016485
1-[2-amino-6-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-4-yl]-3-methylbutan-1-ol
CID 58425576
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 119099848
1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
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N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 159922683) is N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)n1cc(-c2cnc3c(c2)C(NC(=O)Cc2ccc(C(F)(F)F)cc2)=CC3)cn1.
What is the InChIKey of N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NYPNBKQAGCHNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O/c1-14(2)30-13-17(12-28-30)16-10-19-20(27-11-16)7-8-21(19)29-22(31)9-15-3-5-18(6-4-15)23(24,25)26/h3-6,8,10-14H,7,9H2,1-2H3,(H,29,31).
What are the key properties of N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 426.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 159922683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).