1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea

C22H23N7O2S — CID 118380923

IUPAC1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea
SMILESCOC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1
InChIInChI=1S/C22H23N7O2S/c1-31-12-18(14-5-3-2-4-6-14)25-22(30)26-20-9-17-15(10-23-20)21(28-27-17)29-8-7-16-19(11-29)32-13-24-16/h2-6,9-10,13,18H,7-8,11-12H2,1H3,(H,27,28)(H2,23,25,26,30)/t18-/m1/s1
InChIKeyWNEBUFUSSPCDRO-GOSISDBHSA-N
MW449.54 g/mol
LogP3.49
Rot. Bonds6

About 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea

1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea (PubChem CID 118380923) has the molecular formula C22H23N7O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea
PubChem CID118380923
Molecular FormulaC22H23N7O2S
Molecular Weight449.54 g/mol
Exact Mass449.16
IUPAC Name1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea
SMILESCOC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1
InChIInChI=1S/C22H23N7O2S/c1-31-12-18(14-5-3-2-4-6-14)25-22(30)26-20-9-17-15(10-23-20)21(28-27-17)29-8-7-16-19(11-29)32-13-24-16/h2-6,9-10,13,18H,7-8,11-12H2,1H3,(H,27,28)(H2,23,25,26,30)/t18-/m1/s1
InChIKeyWNEBUFUSSPCDRO-GOSISDBHSA-N
XLogP3.49
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea?
The IUPAC name of 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea (CID 118380923) is 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea?
The canonical SMILES for 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea is COC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1.
What is the InChIKey of 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea?
The InChIKey is WNEBUFUSSPCDRO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N7O2S/c1-31-12-18(14-5-3-2-4-6-14)25-22(30)26-20-9-17-15(10-23-20)21(28-27-17)29-8-7-16-19(11-29)32-13-24-16/h2-6,9-10,13,18H,7-8,11-12H2,1H3,(H,27,28)(H2,23,25,26,30)/t18-/m1/s1.
What are the key properties of 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea?
1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea has a molecular weight of 449.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-methoxy-1-phenylethyl]urea is sourced from PubChem (CID 118380923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).