1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C22H27N5O4 — CID 118365217

IUPAC1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCOC[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOC(C)C3)c2cn1)c1ccccc1
InChIInChI=1S/C22H27N5O4/c1-14-10-16(8-9-30-14)31-21-17-12-23-20(11-18(17)26-27-21)25-22(28)24-19(13-29-2)15-6-4-3-5-7-15/h3-7,11-12,14,16,19H,8-10,13H2,1-2H3,(H,26,27)(H2,23,24,25,28)/t14?,16?,19-/m1/s1
InChIKeyDAQQYHPLOGPNDW-GSQSYGFSSA-N
MW425.49 g/mol
LogP3.41
Rot. Bonds7

About 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118365217) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118365217
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCOC[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOC(C)C3)c2cn1)c1ccccc1
InChIInChI=1S/C22H27N5O4/c1-14-10-16(8-9-30-14)31-21-17-12-23-20(11-18(17)26-27-21)25-22(28)24-19(13-29-2)15-6-4-3-5-7-15/h3-7,11-12,14,16,19H,8-10,13H2,1-2H3,(H,26,27)(H2,23,24,25,28)/t14?,16?,19-/m1/s1
InChIKeyDAQQYHPLOGPNDW-GSQSYGFSSA-N
XLogP3.41
TPSA110.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118365217) is 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is COC[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOC(C)C3)c2cn1)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is DAQQYHPLOGPNDW-GSQSYGFSSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-14-10-16(8-9-30-14)31-21-17-12-23-20(11-18(17)26-27-21)25-22(28)24-19(13-29-2)15-6-4-3-5-7-15/h3-7,11-12,14,16,19H,8-10,13H2,1-2H3,(H,26,27)(H2,23,24,25,28)/t14?,16?,19-/m1/s1.
What are the key properties of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 425.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2-methyloxan-4-yl)oxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118365217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).