N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide

C21H22F3N7O3 — CID 67064143

IUPACN-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc(N3CCC(NC(N)=O)CC3)n2n1
InChIInChI=1S/C21H22F3N7O3/c1-12-10-17-27-16(28-19(32)13-2-4-15(5-3-13)34-21(22,23)24)11-18(31(17)29-12)30-8-6-14(7-9-30)26-20(25)33/h2-5,10-11,14H,6-9H2,1H3,(H3,25,26,33)(H,27,28,32)
InChIKeyZJKBBUNBZBYKJM-UHFFFAOYSA-N
MW477.45 g/mol
LogP2.83
Rot. Bonds5

About N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide

N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 67064143) has the molecular formula C21H22F3N7O3 and a molecular weight of 477.45 g/mol. Its IUPAC name is N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
PubChem CID67064143
Molecular FormulaC21H22F3N7O3
Molecular Weight477.45 g/mol
Exact Mass477.17
IUPAC NameN-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc(N3CCC(NC(N)=O)CC3)n2n1
InChIInChI=1S/C21H22F3N7O3/c1-12-10-17-27-16(28-19(32)13-2-4-15(5-3-13)34-21(22,23)24)11-18(31(17)29-12)30-8-6-14(7-9-30)26-20(25)33/h2-5,10-11,14H,6-9H2,1H3,(H3,25,26,33)(H,27,28,32)
InChIKeyZJKBBUNBZBYKJM-UHFFFAOYSA-N
XLogP2.83
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064490
N-ethyl-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 66896932
4-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfinic acid
CID 70961380
N-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064656
N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]cyclopropanecarboxamide
CID 58207056
N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide
CID 60583825
4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 75628651
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172902959
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122299773
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 47148594
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
CID 90545034

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide (CID 67064143) is N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide is Cc1cc2nc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc(N3CCC(NC(N)=O)CC3)n2n1.
What is the InChIKey of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ZJKBBUNBZBYKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7O3/c1-12-10-17-27-16(28-19(32)13-2-4-15(5-3-13)34-21(22,23)24)11-18(31(17)29-12)30-8-6-14(7-9-30)26-20(25)33/h2-5,10-11,14H,6-9H2,1H3,(H3,25,26,33)(H,27,28,32).
What are the key properties of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 477.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 67064143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).