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

C21H26N6O2 — CID 118380805

IUPAC1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCOC1CCN(c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)CC1
InChIInChI=1S/C21H26N6O2/c1-14(15-6-4-3-5-7-15)23-21(28)24-19-12-18-17(13-22-19)20(26-25-18)27-10-8-16(29-2)9-11-27/h3-7,12-14,16H,8-11H2,1-2H3,(H,25,26)(H2,22,23,24,28)/t14-/m1/s1
InChIKeyQHPCGUPJXUPFHJ-CQSZACIVSA-N
MW394.48 g/mol
LogP3.46
Rot. Bonds5

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

1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 118380805) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
PubChem CID118380805
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCOC1CCN(c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)CC1
InChIInChI=1S/C21H26N6O2/c1-14(15-6-4-3-5-7-15)23-21(28)24-19-12-18-17(13-22-19)20(26-25-18)27-10-8-16(29-2)9-11-27/h3-7,12-14,16H,8-11H2,1-2H3,(H,25,26)(H2,22,23,24,28)/t14-/m1/s1
InChIKeyQHPCGUPJXUPFHJ-CQSZACIVSA-N
XLogP3.46
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (CID 118380805) is 1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is COC1CCN(c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)CC1.
What is the InChIKey of 1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is QHPCGUPJXUPFHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14(15-6-4-3-5-7-15)23-21(28)24-19-12-18-17(13-22-19)20(26-25-18)27-10-8-16(29-2)9-11-27/h3-7,12-14,16H,8-11H2,1-2H3,(H,25,26)(H2,22,23,24,28)/t14-/m1/s1.
What are the key properties of 1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 394.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 118380805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).