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

C17H24N4OS — CID 118745412

IUPAC2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
SMILESCCn1cc2c(n1)CN(Cc1nccs1)CC2COCC1CC1
InChIInChI=1S/C17H24N4OS/c1-2-21-8-15-14(12-22-11-13-3-4-13)7-20(9-16(15)19-21)10-17-18-5-6-23-17/h5-6,8,13-14H,2-4,7,9-12H2,1H3
InChIKeyNNPXRYUPQYLLJK-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.89
Rot. Bonds7

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

2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole (PubChem CID 118745412) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
PubChem CID118745412
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
SMILESCCn1cc2c(n1)CN(Cc1nccs1)CC2COCC1CC1
InChIInChI=1S/C17H24N4OS/c1-2-21-8-15-14(12-22-11-13-3-4-13)7-20(9-16(15)19-21)10-17-18-5-6-23-17/h5-6,8,13-14H,2-4,7,9-12H2,1H3
InChIKeyNNPXRYUPQYLLJK-UHFFFAOYSA-N
XLogP2.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole (CID 118745412) is 2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole is CCn1cc2c(n1)CN(Cc1nccs1)CC2COCC1CC1.
What is the InChIKey of 2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The InChIKey is NNPXRYUPQYLLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-21-8-15-14(12-22-11-13-3-4-13)7-20(9-16(15)19-21)10-17-18-5-6-23-17/h5-6,8,13-14H,2-4,7,9-12H2,1H3.
What are the key properties of 2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118745412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).