1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

C19H24N6O2 — CID 123854456

IUPAC1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)Nc1cc2[nH]nc(OCCN(C)C)c2cn1)c1ccccc1
InChIInChI=1S/C19H24N6O2/c1-13(14-7-5-4-6-8-14)21-19(26)22-17-11-16-15(12-20-17)18(24-23-16)27-10-9-25(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,23,24)(H2,20,21,22,26)
InChIKeyOTXMKWZJLHIHMS-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.78
Rot. Bonds7

About 1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (PubChem CID 123854456) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
PubChem CID123854456
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)Nc1cc2[nH]nc(OCCN(C)C)c2cn1)c1ccccc1
InChIInChI=1S/C19H24N6O2/c1-13(14-7-5-4-6-8-14)21-19(26)22-17-11-16-15(12-20-17)18(24-23-16)27-10-9-25(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,23,24)(H2,20,21,22,26)
InChIKeyOTXMKWZJLHIHMS-UHFFFAOYSA-N
XLogP2.78
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087
1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118365302
1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123688873
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365369
1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365227
1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 123506062
1-[3-[[3-(dimethylamino)cyclobutyl]amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381247
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (CID 123854456) is 1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is CC(NC(=O)Nc1cc2[nH]nc(OCCN(C)C)c2cn1)c1ccccc1.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The InChIKey is OTXMKWZJLHIHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13(14-7-5-4-6-8-14)21-19(26)22-17-11-16-15(12-20-17)18(24-23-16)27-10-9-25(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,23,24)(H2,20,21,22,26).
What are the key properties of 1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea has a molecular weight of 368.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 123854456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).