(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone

C19H28N6O2 — CID 110143428

IUPAC(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
SMILESCc1cc2ncc(C(=O)N3CCCC(O)(CN4CCCC4)CC3)c(N)n2n1
InChIInChI=1S/C19H28N6O2/c1-14-11-16-21-12-15(17(20)25(16)22-14)18(26)24-9-4-5-19(27,6-10-24)13-23-7-2-3-8-23/h11-12,27H,2-10,13,20H2,1H3
InChIKeyRFVXJZLBXPDNEO-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.07
Rot. Bonds3

About (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone

(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone (PubChem CID 110143428) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
PubChem CID110143428
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
SMILESCc1cc2ncc(C(=O)N3CCCC(O)(CN4CCCC4)CC3)c(N)n2n1
InChIInChI=1S/C19H28N6O2/c1-14-11-16-21-12-15(17(20)25(16)22-14)18(26)24-9-4-5-19(27,6-10-24)13-23-7-2-3-8-23/h11-12,27H,2-10,13,20H2,1H3
InChIKeyRFVXJZLBXPDNEO-UHFFFAOYSA-N
XLogP1.07
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(4aS,8aR)-4a-(hydroxymethyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 56914003
N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124984919
[(4aS,10bS)-7-hydroxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 175655545
(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 124979623
(5-tert-butyl-1H-pyrazol-3-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 110109059
6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174899
[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110098110
[2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 72880906
[5-[[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate
CID 3848621
N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098129
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(4S)-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]methanone
CID 124991420
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24641599

Frequently Asked Questions

What is the IUPAC name of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
The IUPAC name of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone (CID 110143428) is (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone.
What is the SMILES notation for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
The canonical SMILES for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone is Cc1cc2ncc(C(=O)N3CCCC(O)(CN4CCCC4)CC3)c(N)n2n1.
What is the InChIKey of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
The InChIKey is RFVXJZLBXPDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-14-11-16-21-12-15(17(20)25(16)22-14)18(26)24-9-4-5-19(27,6-10-24)13-23-7-2-3-8-23/h11-12,27H,2-10,13,20H2,1H3.
What are the key properties of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone?
(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone is sourced from PubChem (CID 110143428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).