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

C17H22N4O2S — CID 131654857

IUPAC[7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCn1ncc2c1C(COCC1CC1)N(C(=O)c1cscn1)CC2
InChIInChI=1S/C17H22N4O2S/c1-2-21-16-13(7-19-21)5-6-20(17(22)14-10-24-11-18-14)15(16)9-23-8-12-3-4-12/h7,10-12,15H,2-6,8-9H2,1H3
InChIKeyPMEDIMHEGOTRKW-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.53
Rot. Bonds6

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

[7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 131654857) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID131654857
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name[7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCn1ncc2c1C(COCC1CC1)N(C(=O)c1cscn1)CC2
InChIInChI=1S/C17H22N4O2S/c1-2-21-16-13(7-19-21)5-6-20(17(22)14-10-24-11-18-14)15(16)9-23-8-12-3-4-12/h7,10-12,15H,2-6,8-9H2,1H3
InChIKeyPMEDIMHEGOTRKW-UHFFFAOYSA-N
XLogP2.53
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone (CID 131654857) is [7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone is CCn1ncc2c1C(COCC1CC1)N(C(=O)c1cscn1)CC2.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is PMEDIMHEGOTRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-2-21-16-13(7-19-21)5-6-20(17(22)14-10-24-11-18-14)15(16)9-23-8-12-3-4-12/h7,10-12,15H,2-6,8-9H2,1H3.
What are the key properties of [7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone?
[7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131654857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).