[1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea

C21H26N6O5 — CID 166178025

IUPAC[1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCOCCOc1cc(-n2nc(C)c3cnc(NC(N)=O)cc32)nc([C@]2(OC)CCOC2)c1
InChIInChI=1S/C21H26N6O5/c1-13-15-11-23-18(25-20(22)28)10-16(15)27(26-13)19-9-14(32-7-6-29-2)8-17(24-19)21(30-3)4-5-31-12-21/h8-11H,4-7,12H2,1-3H3,(H3,22,23,25,28)/t21-/m0/s1
InChIKeyZITPGMGHRIFONJ-NRFANRHFSA-N
MW442.48 g/mol
LogP1.90
Rot. Bonds8

About [1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea

[1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 166178025) has the molecular formula C21H26N6O5 and a molecular weight of 442.48 g/mol. Its IUPAC name is [1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name[1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID166178025
Molecular FormulaC21H26N6O5
Molecular Weight442.48 g/mol
Exact Mass442.20
IUPAC Name[1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCOCCOc1cc(-n2nc(C)c3cnc(NC(N)=O)cc32)nc([C@]2(OC)CCOC2)c1
InChIInChI=1S/C21H26N6O5/c1-13-15-11-23-18(25-20(22)28)10-16(15)27(26-13)19-9-14(32-7-6-29-2)8-17(24-19)21(30-3)4-5-31-12-21/h8-11H,4-7,12H2,1-3H3,(H3,22,23,25,28)/t21-/m0/s1
InChIKeyZITPGMGHRIFONJ-NRFANRHFSA-N
XLogP1.90
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(2-methoxyethoxy)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 166178026
[1-[4-[(2R)-2-hydroxypropoxy]-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 163377553
[1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 172722766
N-[1-[4-[(1,1-dioxothietan-3-yl)methoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 172841739
N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 163377403
[3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea
CID 163377480
[1-[6-(3-methoxyoxolan-3-yl)-4-(4-phenylmethoxypiperidin-1-yl)-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 175723137
1-[4-methoxy-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3,6-dimethylpyrazolo[4,5-c]pyridine
CID 170577712
N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282193
N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170425124
N-[1-[6-(3-methoxyoxolan-3-yl)-4-(2-methoxypropoxy)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577151
[5-[4-[(1,1-dioxothietan-3-yl)methoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-7-methylpyrrolo[1,2-c]pyrimidin-3-yl]urea
CID 163377479

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of [1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea (CID 166178025) is [1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for [1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for [1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea is COCCOc1cc(-n2nc(C)c3cnc(NC(N)=O)cc32)nc([C@]2(OC)CCOC2)c1.
What is the InChIKey of [1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is ZITPGMGHRIFONJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N6O5/c1-13-15-11-23-18(25-20(22)28)10-16(15)27(26-13)19-9-14(32-7-6-29-2)8-17(24-19)21(30-3)4-5-31-12-21/h8-11H,4-7,12H2,1-3H3,(H3,22,23,25,28)/t21-/m0/s1.
What are the key properties of [1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea?
[1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 442.48 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 166178025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).