[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone

C18H23N5O2S — CID 146079752

IUPAC[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCSCC1
InChIInChI=1S/C18H23N5O2S/c24-18(21-6-9-26-10-7-21)16-12-22(5-8-25-16)17-15-11-14(13-1-2-13)20-23(15)4-3-19-17/h3-4,11,13,16H,1-2,5-10,12H2
InChIKeyNUGUZEWIAPDUFQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.39
Rot. Bonds3

About [4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone

[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 146079752) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is [4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID146079752
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCSCC1
InChIInChI=1S/C18H23N5O2S/c24-18(21-6-9-26-10-7-21)16-12-22(5-8-25-16)17-15-11-14(13-1-2-13)20-23(15)4-3-19-17/h3-4,11,13,16H,1-2,5-10,12H2
InChIKeyNUGUZEWIAPDUFQ-UHFFFAOYSA-N
XLogP1.39
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171995086
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylic acid
CID 104729453
1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948123
[4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 154580734
methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate
CID 104733435
(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435156
1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901130
(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone
CID 163346299
1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)azepan-4-ol
CID 171691218
1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166603615
[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 165434167
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997253

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (CID 146079752) is [4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is O=C(C1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCSCC1.
What is the InChIKey of [4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is NUGUZEWIAPDUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c24-18(21-6-9-26-10-7-21)16-12-22(5-8-25-16)17-15-11-14(13-1-2-13)20-23(15)4-3-19-17/h3-4,11,13,16H,1-2,5-10,12H2.
What are the key properties of [4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 373.48 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 146079752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).