1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea

C53H54N12O2 — CID 157271075

About 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea

1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 157271075) has the molecular formula C53H54N12O2 and a molecular weight of 891.10 g/mol. Its IUPAC name is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

• Compound Name: 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
• PubChem CID: 157271075
• Molecular Formula: C53H54N12O2
• Molecular Weight: 891.10 g/mol
• Exact Mass: 890.45
• IUPAC Name: 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
• SMILES: CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12.CCNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
• InChI: InChI=1S/C36H34N6O.C17H20N6O/c1-3-37-34-31-25-38-33(40-35(43)39-26(2)27-16-8-4-9-17-27)24-32(31)42(41-34)36(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30;1-3-18-16-13-10-19-15(9-14(13)22-23-16)21-17(24)20-11(2)12-7-5-4-6-8-12/h4-26H,3H2,1-2H3,(H,37,41)(H2,38,39,40,43);4-11H,3H2,1-2H3,(H2,18,22,23)(H2,19,20,21,24)/t26-;11-/m11/s1
• InChIKey: AYNWHRIORMUTAZ-AOKAKBIXSA-N
• XLogP: 10.86
• TPSA: 178.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	891.10
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?

The IUPAC name of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (CID 157271075) is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

What is the SMILES notation for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?

The canonical SMILES for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12.CCNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12.

What is the InChIKey of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?

The InChIKey is AYNWHRIORMUTAZ-AOKAKBIXSA-N. The full InChI is InChI=1S/C36H34N6O.C17H20N6O/c1-3-37-34-31-25-38-33(40-35(43)39-26(2)27-16-8-4-9-17-27)24-32(31)42(41-34)36(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30;1-3-18-16-13-10-19-15(9-14(13)22-23-16)21-17(24)20-11(2)12-7-5-4-6-8-12/h4-26H,3H2,1-2H3,(H,37,41)(H2,38,39,40,43);4-11H,3H2,1-2H3,(H2,18,22,23)(H2,19,20,21,24)/t26-;11-/m11/s1.

What are the key properties of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?

1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 891.10 g/mol, XLogP of 10.86, 14 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 157271075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).