3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one

C18H25N5O2S — CID 70725890

IUPAC3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ncsc1CN1CCn2nc(CCC(=O)N3CCOCC3)cc2C1
InChIInChI=1S/C18H25N5O2S/c1-14-17(26-13-19-14)12-21-4-5-23-16(11-21)10-15(20-23)2-3-18(24)22-6-8-25-9-7-22/h10,13H,2-9,11-12H2,1H3
InChIKeyKNVOMMKDBUJDBY-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.46
Rot. Bonds5

About 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one

3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 70725890) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID70725890
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ncsc1CN1CCn2nc(CCC(=O)N3CCOCC3)cc2C1
InChIInChI=1S/C18H25N5O2S/c1-14-17(26-13-19-14)12-21-4-5-23-16(11-21)10-15(20-23)2-3-18(24)22-6-8-25-9-7-22/h10,13H,2-9,11-12H2,1H3
InChIKeyKNVOMMKDBUJDBY-UHFFFAOYSA-N
XLogP1.46
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

1-morpholin-4-yl-3-[5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-one
CID 72921641
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 91775333
methyl (2S)-2-[2-(3-morpholin-4-yl-3-oxopropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propanoate
CID 96576004
1-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 138382090
[(7S)-1-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 124806638
3-[5-[(1,5-dimethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 72863744
1-[(3S,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 133127611
3-[5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 70777050
(2R)-2-amino-1-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 72883225
5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133141619
3-[5-(2-methylpentyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 72936468
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70778152

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one (CID 70725890) is 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one is Cc1ncsc1CN1CCn2nc(CCC(=O)N3CCOCC3)cc2C1.
What is the InChIKey of 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KNVOMMKDBUJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-14-17(26-13-19-14)12-21-4-5-23-16(11-21)10-15(20-23)2-3-18(24)22-6-8-25-9-7-22/h10,13H,2-9,11-12H2,1H3.
What are the key properties of 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one?
3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 375.50 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 70725890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).