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

C17H24N4OS — CID 131650735

IUPAC4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCc3cnn(C)c3C2COCC2CC2)cs1
InChIInChI=1S/C17H24N4OS/c1-12-19-15(11-23-12)8-21-6-5-14-7-18-20(2)17(14)16(21)10-22-9-13-3-4-13/h7,11,13,16H,3-6,8-10H2,1-2H3
InChIKeyNRZLONVLRZFQRG-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.71
Rot. Bonds6

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

4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 131650735) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID131650735
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCc3cnn(C)c3C2COCC2CC2)cs1
InChIInChI=1S/C17H24N4OS/c1-12-19-15(11-23-12)8-21-6-5-14-7-18-20(2)17(14)16(21)10-22-9-13-3-4-13/h7,11,13,16H,3-6,8-10H2,1-2H3
InChIKeyNRZLONVLRZFQRG-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 4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole (CID 131650735) is 4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCc3cnn(C)c3C2COCC2CC2)cs1.
What is the InChIKey of 4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is NRZLONVLRZFQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12-19-15(11-23-12)8-21-6-5-14-7-18-20(2)17(14)16(21)10-22-9-13-3-4-13/h7,11,13,16H,3-6,8-10H2,1-2H3.
What are the key properties of 4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole?
4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-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 4-[[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 131650735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).