4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide

C21H25N5O2 — CID 143873056

IUPAC4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cc(N3CCCCC3)n3nccc3n2)cc1
InChIInChI=1S/C21H25N5O2/c1-21(2,28)16-8-6-15(7-9-16)20(27)24-17-14-19(25-12-4-3-5-13-25)26-18(23-17)10-11-22-26/h6-11,14,28H,3-5,12-13H2,1-2H3,(H,23,24,27)
InChIKeyKRKHILXNTAYDIK-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.20
Rot. Bonds4

About 4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide

4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (PubChem CID 143873056) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
PubChem CID143873056
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cc(N3CCCCC3)n3nccc3n2)cc1
InChIInChI=1S/C21H25N5O2/c1-21(2,28)16-8-6-15(7-9-16)20(27)24-17-14-19(25-12-4-3-5-13-25)26-18(23-17)10-11-22-26/h6-11,14,28H,3-5,12-13H2,1-2H3,(H,23,24,27)
InChIKeyKRKHILXNTAYDIK-UHFFFAOYSA-N
XLogP3.20
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 67064280
N-[7-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064055
4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064614
4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 70961385
4-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfinic acid
CID 70961380
3-methyl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064544
4-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbaldehyde
CID 58206908
N-ethyl-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 66896932
N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064490
N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-thiophen-2-ylbenzamide
CID 67064569
2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207103
N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(5-oxo-4H-1,4-thiazin-3-yl)benzamide
CID 67064515

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (CID 143873056) is 4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is CC(C)(O)c1ccc(C(=O)Nc2cc(N3CCCCC3)n3nccc3n2)cc1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The InChIKey is KRKHILXNTAYDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-21(2,28)16-8-6-15(7-9-16)20(27)24-17-14-19(25-12-4-3-5-13-25)26-18(23-17)10-11-22-26/h6-11,14,28H,3-5,12-13H2,1-2H3,(H,23,24,27).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 143873056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).