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

C20H22N8O2 — CID 118380963

IUPAC1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCOC[C@@H](NC(=O)Nc1cc2[nH]nc(Nc3cnn(C)c3)c2cn1)c1ccccc1
InChIInChI=1S/C20H22N8O2/c1-28-11-14(9-22-28)23-19-15-10-21-18(8-16(15)26-27-19)25-20(29)24-17(12-30-2)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3,(H2,23,26,27)(H2,21,24,25,29)/t17-/m1/s1
InChIKeyQVRONKCJTUSWEQ-QGZVFWFLSA-N
MW406.45 g/mol
LogP2.94
Rot. Bonds7

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

1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118380963) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118380963
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCOC[C@@H](NC(=O)Nc1cc2[nH]nc(Nc3cnn(C)c3)c2cn1)c1ccccc1
InChIInChI=1S/C20H22N8O2/c1-28-11-14(9-22-28)23-19-15-10-21-18(8-16(15)26-27-19)25-20(29)24-17(12-30-2)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3,(H2,23,26,27)(H2,21,24,25,29)/t17-/m1/s1
InChIKeyQVRONKCJTUSWEQ-QGZVFWFLSA-N
XLogP2.94
TPSA121.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-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-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118380963) is 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is COC[C@@H](NC(=O)Nc1cc2[nH]nc(Nc3cnn(C)c3)c2cn1)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is QVRONKCJTUSWEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-28-11-14(9-22-28)23-19-15-10-21-18(8-16(15)26-27-19)25-20(29)24-17(12-30-2)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3,(H2,23,26,27)(H2,21,24,25,29)/t17-/m1/s1.
What are the key properties of 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 406.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118380963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).