N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide

C20H26N6O — CID 175969884

IUPACN-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide
SMILESCCCC[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cn4cccnc4n3)n[nH]2)C1
InChIInChI=1S/C20H26N6O/c1-2-3-5-14-6-7-15(10-14)17-12-18(25-24-17)23-19(27)11-16-13-26-9-4-8-21-20(26)22-16/h4,8-9,12-15H,2-3,5-7,10-11H2,1H3,(H2,23,24,25,27)/t14-,15+/m1/s1
InChIKeyQPKZATPOFQDGBX-CABCVRRESA-N
MW366.47 g/mol
LogP3.71
Rot. Bonds7

About N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide

N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide (PubChem CID 175969884) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide
PubChem CID175969884
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide
SMILESCCCC[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cn4cccnc4n3)n[nH]2)C1
InChIInChI=1S/C20H26N6O/c1-2-3-5-14-6-7-15(10-14)17-12-18(25-24-17)23-19(27)11-16-13-26-9-4-8-21-20(26)22-16/h4,8-9,12-15H,2-3,5-7,10-11H2,1H3,(H2,23,24,25,27)/t14-,15+/m1/s1
InChIKeyQPKZATPOFQDGBX-CABCVRRESA-N
XLogP3.71
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid
CID 175923707
[(1S,3R)-3-[3-[[2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616595
[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616734
3-[(1R,3S)-3-[3-[[2-(4-methoxy-2-methylsulfonylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid
CID 175923691
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
CID 177025874
4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid
CID 114430831
2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide
CID 163996712
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide
CID 22177009
(3R,6S)-1-acetyl-6-amino-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepane-3-carboxamide
CID 165418285
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176805
methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate
CID 114450664
[(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate
CID 154664717

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide?
The IUPAC name of N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide (CID 175969884) is N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide.
What is the SMILES notation for N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide?
The canonical SMILES for N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide is CCCC[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cn4cccnc4n3)n[nH]2)C1.
What is the InChIKey of N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide?
The InChIKey is QPKZATPOFQDGBX-CABCVRRESA-N. The full InChI is InChI=1S/C20H26N6O/c1-2-3-5-14-6-7-15(10-14)17-12-18(25-24-17)23-19(27)11-16-13-26-9-4-8-21-20(26)22-16/h4,8-9,12-15H,2-3,5-7,10-11H2,1H3,(H2,23,24,25,27)/t14-,15+/m1/s1.
What are the key properties of N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide?
N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide has a molecular weight of 366.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide is sourced from PubChem (CID 175969884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).