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

C17H24N4OS — CID 118746275

IUPAC5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1Cc2cnn(C)c2C(COCC2CC2)C1
InChIInChI=1S/C17H24N4OS/c1-12-16(23-11-18-12)8-21-6-14-5-19-20(2)17(14)15(7-21)10-22-9-13-3-4-13/h5,11,13,15H,3-4,6-10H2,1-2H3
InChIKeyUITMWLOWIINFDM-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.71
Rot. Bonds6

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

5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 118746275) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID118746275
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1Cc2cnn(C)c2C(COCC2CC2)C1
InChIInChI=1S/C17H24N4OS/c1-12-16(23-11-18-12)8-21-6-14-5-19-20(2)17(14)15(7-21)10-22-9-13-3-4-13/h5,11,13,15H,3-4,6-10H2,1-2H3
InChIKeyUITMWLOWIINFDM-UHFFFAOYSA-N
XLogP2.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole (CID 118746275) is 5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1Cc2cnn(C)c2C(COCC2CC2)C1.
What is the InChIKey of 5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is UITMWLOWIINFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12-16(23-11-18-12)8-21-6-14-5-19-20(2)17(14)15(7-21)10-22-9-13-3-4-13/h5,11,13,15H,3-4,6-10H2,1-2H3.
What are the key properties of 5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole?
5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 118746275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).