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

C17H24N4OS — CID 131656857

IUPAC2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
SMILESCOCC1c2c(cnn2CC2CC2)CCN1Cc1nc(C)cs1
InChIInChI=1S/C17H24N4OS/c1-12-11-23-16(19-12)9-20-6-5-14-7-18-21(8-13-3-4-13)17(14)15(20)10-22-2/h7,11,13,15H,3-6,8-10H2,1-2H3
InChIKeyBEUPQKGQHRPPDY-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.80
Rot. Bonds6

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

2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 131656857) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID131656857
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
SMILESCOCC1c2c(cnn2CC2CC2)CCN1Cc1nc(C)cs1
InChIInChI=1S/C17H24N4OS/c1-12-11-23-16(19-12)9-20-6-5-14-7-18-21(8-13-3-4-13)17(14)15(20)10-22-2/h7,11,13,15H,3-6,8-10H2,1-2H3
InChIKeyBEUPQKGQHRPPDY-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 72124259
(2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369507
(2S,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369711
3-(4-methyl-1H-pyrazol-5-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 110132411
3-(4-methyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
CID 110132418
2-[[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 118739275
2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 118739801
4-[[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole
CID 118740924
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
CID 118741019
2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 118743819
[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 118744367
[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 118744689

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole (CID 131656857) is 2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole is COCC1c2c(cnn2CC2CC2)CCN1Cc1nc(C)cs1.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is BEUPQKGQHRPPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12-11-23-16(19-12)9-20-6-5-14-7-18-21(8-13-3-4-13)17(14)15(20)10-22-2/h7,11,13,15H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 131656857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).