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

C16H20N4O2S — CID 155901571

IUPAC[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOCC1c2c(cnn2CC2CC2)CCN1C(=O)c1cscn1
InChIInChI=1S/C16H20N4O2S/c1-22-8-14-15-12(6-18-20(15)7-11-2-3-11)4-5-19(14)16(21)13-9-23-10-17-13/h6,9-11,14H,2-5,7-8H2,1H3
InChIKeyYUKOUUMTICVBLH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.14
Rot. Bonds5

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

[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 155901571) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID155901571
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOCC1c2c(cnn2CC2CC2)CCN1C(=O)c1cscn1
InChIInChI=1S/C16H20N4O2S/c1-22-8-14-15-12(6-18-20(15)7-11-2-3-11)4-5-19(14)16(21)13-9-23-10-17-13/h6,9-11,14H,2-5,7-8H2,1H3
InChIKeyYUKOUUMTICVBLH-UHFFFAOYSA-N
XLogP2.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone (CID 155901571) is [1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone is COCC1c2c(cnn2CC2CC2)CCN1C(=O)c1cscn1.
What is the InChIKey of [1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is YUKOUUMTICVBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-22-8-14-15-12(6-18-20(15)7-11-2-3-11)4-5-19(14)16(21)13-9-23-10-17-13/h6,9-11,14H,2-5,7-8H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 155901571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).