2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole

C16H22N4OS — CID 131653428

IUPAC2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
SMILESCOCC1CN(Cc2nccs2)Cc2c1cnn2CC1CC1
InChIInChI=1S/C16H22N4OS/c1-21-11-13-8-19(10-16-17-4-5-22-16)9-15-14(13)6-18-20(15)7-12-2-3-12/h4-6,12-13H,2-3,7-11H2,1H3
InChIKeyNMVLXYGXMKYUHH-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.50
Rot. Bonds6

About 2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole

2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole (PubChem CID 131653428) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
PubChem CID131653428
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
SMILESCOCC1CN(Cc2nccs2)Cc2c1cnn2CC1CC1
InChIInChI=1S/C16H22N4OS/c1-21-11-13-8-19(10-16-17-4-5-22-16)9-15-14(13)6-18-20(15)7-12-2-3-12/h4-6,12-13H,2-3,7-11H2,1H3
InChIKeyNMVLXYGXMKYUHH-UHFFFAOYSA-N
XLogP2.50
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole (CID 131653428) is 2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole is COCC1CN(Cc2nccs2)Cc2c1cnn2CC1CC1.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The InChIKey is NMVLXYGXMKYUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-21-11-13-8-19(10-16-17-4-5-22-16)9-15-14(13)6-18-20(15)7-12-2-3-12/h4-6,12-13H,2-3,7-11H2,1H3.
What are the key properties of 2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole has a molecular weight of 318.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131653428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).