4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide

C22H27N5O2 — CID 70961385

IUPAC4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(N3CCC(CO)C3)n3nccc3n2)cc1
InChIInChI=1S/C22H27N5O2/c1-22(2,3)17-6-4-16(5-7-17)21(29)25-18-12-20(26-11-9-15(13-26)14-28)27-19(24-18)8-10-23-27/h4-8,10,12,15,28H,9,11,13-14H2,1-3H3,(H,24,25,29)
InChIKeyAZWFGMAPVGHFMU-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.10
Rot. Bonds4

About 4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide

4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide (PubChem CID 70961385) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
PubChem CID70961385
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(N3CCC(CO)C3)n3nccc3n2)cc1
InChIInChI=1S/C22H27N5O2/c1-22(2,3)17-6-4-16(5-7-17)21(29)25-18-12-20(26-11-9-15(13-26)14-28)27-19(24-18)8-10-23-27/h4-8,10,12,15,28H,9,11,13-14H2,1-3H3,(H,24,25,29)
InChIKeyAZWFGMAPVGHFMU-UHFFFAOYSA-N
XLogP3.10
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064055
(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 67064280
4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 143873056
4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064614
2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207103
4-tert-butyl-N-[7-[(3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 67064340
3-methyl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064544
[(3S)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 95882577
[(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 95882578
1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207030
N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-thiophen-2-ylbenzamide
CID 67064569
4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 67064309

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide (CID 70961385) is 4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCC(CO)C3)n3nccc3n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
The InChIKey is AZWFGMAPVGHFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-22(2,3)17-6-4-16(5-7-17)21(29)25-18-12-20(26-11-9-15(13-26)14-28)27-19(24-18)8-10-23-27/h4-8,10,12,15,28H,9,11,13-14H2,1-3H3,(H,24,25,29).
What are the key properties of 4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 70961385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).