4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide

C25H25N5O2 — CID 67064532

IUPAC4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cc3ccnn3c(-c3ccc4c(c3)CNCC4)n2)cc1
InChIInChI=1S/C25H25N5O2/c1-25(2,32)20-7-5-17(6-8-20)24(31)29-22-14-21-10-12-27-30(21)23(28-22)18-4-3-16-9-11-26-15-19(16)13-18/h3-8,10,12-14,26,32H,9,11,15H2,1-2H3,(H,29,31)
InChIKeyJIWWZCGBTQEWAZ-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.52
Rot. Bonds4

About 4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide

4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide (PubChem CID 67064532) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide
PubChem CID67064532
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cc3ccnn3c(-c3ccc4c(c3)CNCC4)n2)cc1
InChIInChI=1S/C25H25N5O2/c1-25(2,32)20-7-5-17(6-8-20)24(31)29-22-14-21-10-12-27-30(21)23(28-22)18-4-3-16-9-11-26-15-19(16)13-18/h3-8,10,12-14,26,32H,9,11,15H2,1-2H3,(H,29,31)
InChIKeyJIWWZCGBTQEWAZ-UHFFFAOYSA-N
XLogP3.52
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 66878496
4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 143873056
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182
N-[7-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064055
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 114387472
4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide
CID 67064649
N-[1-(iodomethyl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 143697896
(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 67064280
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 166233213
2-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207168
7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 103293930
4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 67064340

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide (CID 67064532) is 4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide is CC(C)(O)c1ccc(C(=O)Nc2cc3ccnn3c(-c3ccc4c(c3)CNCC4)n2)cc1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
The InChIKey is JIWWZCGBTQEWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-25(2,32)20-7-5-17(6-8-20)24(31)29-22-14-21-10-12-27-30(21)23(28-22)18-4-3-16-9-11-26-15-19(16)13-18/h3-8,10,12-14,26,32H,9,11,15H2,1-2H3,(H,29,31).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide has a molecular weight of 427.51 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 67064532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).