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

C16H20N4O2S — CID 118745124

IUPAC[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCn1ncc2c1C(COCC1CC1)CN(C(=O)c1cscn1)C2
InChIInChI=1S/C16H20N4O2S/c1-19-15-12(4-18-19)5-20(16(21)14-9-23-10-17-14)6-13(15)8-22-7-11-2-3-11/h4,9-11,13H,2-3,5-8H2,1H3
InChIKeyPNGHWPYEGOBAQV-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.04
Rot. Bonds5

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

[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 118745124) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID118745124
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCn1ncc2c1C(COCC1CC1)CN(C(=O)c1cscn1)C2
InChIInChI=1S/C16H20N4O2S/c1-19-15-12(4-18-19)5-20(16(21)14-9-23-10-17-14)6-13(15)8-22-7-11-2-3-11/h4,9-11,13H,2-3,5-8H2,1H3
InChIKeyPNGHWPYEGOBAQV-UHFFFAOYSA-N
XLogP2.04
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone (CID 118745124) is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone is Cn1ncc2c1C(COCC1CC1)CN(C(=O)c1cscn1)C2.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is PNGHWPYEGOBAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19-15-12(4-18-19)5-20(16(21)14-9-23-10-17-14)6-13(15)8-22-7-11-2-3-11/h4,9-11,13H,2-3,5-8H2,1H3.
What are the key properties of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118745124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).