N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C17H24N4O3 — CID 52829277

IUPACN-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)NO[C@H]3CCCCO3)c(C)n2n1
InChIInChI=1S/C17H24N4O3/c1-11-10-15-18-12(2)14(13(3)21(15)19-11)7-8-16(22)20-24-17-6-4-5-9-23-17/h10,17H,4-9H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyMYSZXINCYJOMML-KRWDZBQOSA-N
MW332.40 g/mol
LogP2.16
Rot. Bonds5

About N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 52829277) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID52829277
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)NO[C@H]3CCCCO3)c(C)n2n1
InChIInChI=1S/C17H24N4O3/c1-11-10-15-18-12(2)14(13(3)21(15)19-11)7-8-16(22)20-24-17-6-4-5-9-23-17/h10,17H,4-9H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyMYSZXINCYJOMML-KRWDZBQOSA-N
XLogP2.16
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-2-yloxy)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 60612217
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 9489544
N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 97005050
3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7129126
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46450657
N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 34231119
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 9489833
N-(3-morpholin-4-ylpropyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 30532438
N-(3-hydroxybutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 111433373
N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35505375
(4-methylphenyl)methyl 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8782985
N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33147707

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 52829277) is N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)NO[C@H]3CCCCO3)c(C)n2n1.
What is the InChIKey of N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is MYSZXINCYJOMML-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-10-15-18-12(2)14(13(3)21(15)19-11)7-8-16(22)20-24-17-6-4-5-9-23-17/h10,17H,4-9H2,1-3H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 332.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-oxan-2-yl]oxy-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 52829277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).