[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

C20H23N5O2 — CID 72866026

IUPAC[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCOc1cccc([C@H]2CN(C(=O)c3cc4nc(C)cc(C)n4n3)C[C@@H]2N)c1
InChIInChI=1S/C20H23N5O2/c1-12-7-13(2)25-19(22-12)9-18(23-25)20(26)24-10-16(17(21)11-24)14-5-4-6-15(8-14)27-3/h4-9,16-17H,10-11,21H2,1-3H3/t16-,17+/m1/s1
InChIKeyVKGBPWKVZHMIAQ-SJORKVTESA-N
MW365.44 g/mol
LogP1.92
Rot. Bonds3

About [(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 72866026) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID72866026
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCOc1cccc([C@H]2CN(C(=O)c3cc4nc(C)cc(C)n4n3)C[C@@H]2N)c1
InChIInChI=1S/C20H23N5O2/c1-12-7-13(2)25-19(22-12)9-18(23-25)20(26)24-10-16(17(21)11-24)14-5-4-6-15(8-14)27-3/h4-9,16-17H,10-11,21H2,1-3H3/t16-,17+/m1/s1
InChIKeyVKGBPWKVZHMIAQ-SJORKVTESA-N
XLogP1.92
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(3-methylphenoxy)azetidin-1-yl]methanone
CID 70770628
[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72920928
4-[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 72881044
[(3S,4R)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 133121367
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 124958848
[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 72903633
[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
CID 72940098
[3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 156604303
tert-butyl (3S,4S)-4-amino-3-(3-methoxyphenyl)piperidine-1-carboxylate
CID 99943446
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120746588
(3S,4R)-1-(isoquinoline-3-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70747427
1-[3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(cyclopropylmethylsulfanyl)ethanone
CID 156607132

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 72866026) is [(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is COc1cccc([C@H]2CN(C(=O)c3cc4nc(C)cc(C)n4n3)C[C@@H]2N)c1.
What is the InChIKey of [(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is VKGBPWKVZHMIAQ-SJORKVTESA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-7-13(2)25-19(22-12)9-18(23-25)20(26)24-10-16(17(21)11-24)14-5-4-6-15(8-14)27-3/h4-9,16-17H,10-11,21H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of [(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 72866026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).