[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C18H26N4O2 — CID 95402326

IUPAC[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2CCO[C@@H](CCCC(C)C)C2)cnc2ccnn12
InChIInChI=1S/C18H26N4O2/c1-13(2)5-4-6-15-12-21(9-10-24-15)18(23)16-11-19-17-7-8-20-22(17)14(16)3/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3/t15-/m0/s1
InChIKeyFKHBHSVYXPFHRW-HNNXBMFYSA-N
MW330.43 g/mol
LogP2.71
Rot. Bonds5

About [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 95402326) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID95402326
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2CCO[C@@H](CCCC(C)C)C2)cnc2ccnn12
InChIInChI=1S/C18H26N4O2/c1-13(2)5-4-6-15-12-21(9-10-24-15)18(23)16-11-19-17-7-8-20-22(17)14(16)3/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3/t15-/m0/s1
InChIKeyFKHBHSVYXPFHRW-HNNXBMFYSA-N
XLogP2.71
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone with MolForge

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Related Compounds

US11142526, Example 171
CID 137533144
5,7-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 45809737
7-[1-(2-Methoxyethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118739933
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone
CID 134793369
Ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 134795370
(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 71872080
(5-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
CID 128558926
[(3S,4S)-3-hydroxy-4-(pyrimidin-2-ylamino)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 164630022
[(3S)-3-ethyl-3-methylpiperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 164631930
[5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-A]pyrimidin-3-YL](2,6-dimethylmorpholino)methanone
CID 4768517
5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170021425
2-methyl-7-[3-(morpholin-4-yl)propyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CID 17198722

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 95402326) is [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1c(C(=O)N2CCO[C@@H](CCCC(C)C)C2)cnc2ccnn12.
What is the InChIKey of [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is FKHBHSVYXPFHRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)5-4-6-15-12-21(9-10-24-15)18(23)16-11-19-17-7-8-20-22(17)14(16)3/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3/t15-/m0/s1.
What are the key properties of [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 95402326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).