[(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone

C14H18N4O2S — CID 97368058

IUPAC[(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCn1ncc2c1CN(C(=O)c1cscn1)C[C@H]2COC
InChIInChI=1S/C14H18N4O2S/c1-3-18-13-6-17(14(19)12-8-21-9-15-12)5-10(7-20-2)11(13)4-16-18/h4,8-10H,3,5-7H2,1-2H3/t10-/m0/s1
InChIKeyRLSWHXXYMIIIJD-JTQLQIEISA-N
MW306.39 g/mol
LogP1.75
Rot. Bonds4

About [(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone

[(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97368058) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is [(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97368058
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name[(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCn1ncc2c1CN(C(=O)c1cscn1)C[C@H]2COC
InChIInChI=1S/C14H18N4O2S/c1-3-18-13-6-17(14(19)12-8-21-9-15-12)5-10(7-20-2)11(13)4-16-18/h4,8-10H,3,5-7H2,1-2H3/t10-/m0/s1
InChIKeyRLSWHXXYMIIIJD-JTQLQIEISA-N
XLogP1.75
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone (CID 97368058) is [(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone is CCn1ncc2c1CN(C(=O)c1cscn1)C[C@H]2COC.
What is the InChIKey of [(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is RLSWHXXYMIIIJD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-18-13-6-17(14(19)12-8-21-9-15-12)5-10(7-20-2)11(13)4-16-18/h4,8-10H,3,5-7H2,1-2H3/t10-/m0/s1.
What are the key properties of [(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
[(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 306.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97368058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).