(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide

C22H26N6O3 — CID 67064280

IUPAC(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cc(N3CCC[C@H](C(N)=O)C3)n3nccc3n2)cc1
InChIInChI=1S/C22H26N6O3/c1-22(2,31)16-7-5-14(6-8-16)21(30)26-17-12-19(28-18(25-17)9-10-24-28)27-11-3-4-15(13-27)20(23)29/h5-10,12,15,31H,3-4,11,13H2,1-2H3,(H2,23,29)(H,25,26,30)/t15-/m0/s1
InChIKeyGWYBWEJACCHXBW-HNNXBMFYSA-N
MW422.49 g/mol
LogP1.91
Rot. Bonds5

About (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide

(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide (PubChem CID 67064280) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
PubChem CID67064280
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cc(N3CCC[C@H](C(N)=O)C3)n3nccc3n2)cc1
InChIInChI=1S/C22H26N6O3/c1-22(2,31)16-7-5-14(6-8-16)21(30)26-17-12-19(28-18(25-17)9-10-24-28)27-11-3-4-15(13-27)20(23)29/h5-10,12,15,31H,3-4,11,13H2,1-2H3,(H2,23,29)(H,25,26,30)/t15-/m0/s1
InChIKeyGWYBWEJACCHXBW-HNNXBMFYSA-N
XLogP1.91
TPSA125.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 143873056
N-[7-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064055
4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 70961385
(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 95863277
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-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064490
4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064614
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
[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95723617
(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 94173217

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide (CID 67064280) is (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide is CC(C)(O)c1ccc(C(=O)Nc2cc(N3CCC[C@H](C(N)=O)C3)n3nccc3n2)cc1.
What is the InChIKey of (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The InChIKey is GWYBWEJACCHXBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-22(2,31)16-7-5-14(6-8-16)21(30)26-17-12-19(28-18(25-17)9-10-24-28)27-11-3-4-15(13-27)20(23)29/h5-10,12,15,31H,3-4,11,13H2,1-2H3,(H2,23,29)(H,25,26,30)/t15-/m0/s1.
What are the key properties of (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide is sourced from PubChem (CID 67064280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).