N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide

C23H25F3N4O — CID 170752843

IUPACN-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide
SMILESCC(C)N(Cc1ccn2nccc2c1)C(=O)CNc1ccc(C2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C23H25F3N4O/c1-16(2)29(15-17-8-12-30-20(13-17)7-11-28-30)21(31)14-27-19-5-3-18(4-6-19)22(9-10-22)23(24,25)26/h3-8,11-13,16,27H,9-10,14-15H2,1-2H3
InChIKeyBWOJAYXFRRFXGG-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.78
Rot. Bonds7

About N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide

N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide (PubChem CID 170752843) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide
PubChem CID170752843
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC NameN-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide
SMILESCC(C)N(Cc1ccn2nccc2c1)C(=O)CNc1ccc(C2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C23H25F3N4O/c1-16(2)29(15-17-8-12-30-20(13-17)7-11-28-30)21(31)14-27-19-5-3-18(4-6-19)22(9-10-22)23(24,25)26/h3-8,11-13,16,27H,9-10,14-15H2,1-2H3
InChIKeyBWOJAYXFRRFXGG-UHFFFAOYSA-N
XLogP4.78
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(N-[2-[3,5-bis(trifluoromethyl)-2-pyridinyl]acetyl]-4-fluoroanilino)prop-1-ynyl]pyrazol-1-yl]propanamide
CID 168286360
N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(2-pyrazinyl)propanamide
CID 24792097
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670694
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670695
N-[2-(1,2-dimethyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
CID 59145848
1-[6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-5-methylpiperazin-1-yl]ethanone
CID 90231983
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-[(4-fluoropyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone
CID 90232067
1-[6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone
CID 90232282
1-[6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2R,5R)-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-methylpiperazin-1-yl]ethanone
CID 90240297
7-Ethyl-3-(2-methylpyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117821004
(7S)-7-methyl-3-(2-methylpyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117824335

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide?
The IUPAC name of N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide (CID 170752843) is N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide.
What is the SMILES notation for N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide?
The canonical SMILES for N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide is CC(C)N(Cc1ccn2nccc2c1)C(=O)CNc1ccc(C2(C(F)(F)F)CC2)cc1.
What is the InChIKey of N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide?
The InChIKey is BWOJAYXFRRFXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-16(2)29(15-17-8-12-30-20(13-17)7-11-28-30)21(31)14-27-19-5-3-18(4-6-19)22(9-10-22)23(24,25)26/h3-8,11-13,16,27H,9-10,14-15H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide?
N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide has a molecular weight of 430.47 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-2-[4-[1-(trifluoromethyl)cyclopropyl]anilino]acetamide is sourced from PubChem (CID 170752843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).