1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

C21H27N7O3 — CID 90959410

IUPAC1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCCn1cc(-c2cnn3c(N)c(C(C)=O)c(C4CCN(C(=O)C(C)O)CC4)nc23)cn1
InChIInChI=1S/C21H27N7O3/c1-4-27-11-15(9-23-27)16-10-24-28-19(22)17(12(2)29)18(25-20(16)28)14-5-7-26(8-6-14)21(31)13(3)30/h9-11,13-14,30H,4-8,22H2,1-3H3
InChIKeyDEGBSQVSZUYTLT-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.48
Rot. Bonds5

About 1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 90959410) has the molecular formula C21H27N7O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID90959410
Molecular FormulaC21H27N7O3
Molecular Weight425.49 g/mol
Exact Mass425.22
IUPAC Name1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCCn1cc(-c2cnn3c(N)c(C(C)=O)c(C4CCN(C(=O)C(C)O)CC4)nc23)cn1
InChIInChI=1S/C21H27N7O3/c1-4-27-11-15(9-23-27)16-10-24-28-19(22)17(12(2)29)18(25-20(16)28)14-5-7-26(8-6-14)21(31)13(3)30/h9-11,13-14,30H,4-8,22H2,1-3H3
InChIKeyDEGBSQVSZUYTLT-UHFFFAOYSA-N
XLogP1.48
TPSA131.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one
CID 70215542
1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 77454253
1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 90981790
1-[4-[6-acetyl-7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxybutan-1-one
CID 91161675
1-[5-[1-(2-hydroxypropanoyl)piperidin-4-yl]-7-methyl-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-methylidenebutan-1-one
CID 91338947
1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 70218680
1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one
CID 70216319
1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 70214363
7-amino-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-[6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 88580055
1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid
CID 121408209
(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 162104116
4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid
CID 56849068

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of 1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 90959410) is 1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for 1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for 1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is CCn1cc(-c2cnn3c(N)c(C(C)=O)c(C4CCN(C(=O)C(C)O)CC4)nc23)cn1.
What is the InChIKey of 1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is DEGBSQVSZUYTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O3/c1-4-27-11-15(9-23-27)16-10-24-28-19(22)17(12(2)29)18(25-20(16)28)14-5-7-26(8-6-14)21(31)13(3)30/h9-11,13-14,30H,4-8,22H2,1-3H3.
What are the key properties of 1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 425.49 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-acetyl-7-amino-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 90959410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).