[3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea

C17H18N6O3 — CID 139464758

IUPAC[3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
SMILESCOC1(c2cncc(-c3c[nH]c4cnc(NC(N)=O)cc34)n2)CCOC1
InChIInChI=1S/C17H18N6O3/c1-25-17(2-3-26-9-17)14-8-19-6-13(22-14)11-5-20-12-7-21-15(4-10(11)12)23-16(18)24/h4-8,20H,2-3,9H2,1H3,(H3,18,21,23,24)
InChIKeyXPEXIPQUJACSFL-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.77
Rot. Bonds4

About [3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea

[3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea (PubChem CID 139464758) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is [3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name[3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
PubChem CID139464758
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name[3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
SMILESCOC1(c2cncc(-c3c[nH]c4cnc(NC(N)=O)cc34)n2)CCOC1
InChIInChI=1S/C17H18N6O3/c1-25-17(2-3-26-9-17)14-8-19-6-13(22-14)11-5-20-12-7-21-15(4-10(11)12)23-16(18)24/h4-8,20H,2-3,9H2,1H3,(H3,18,21,23,24)
InChIKeyXPEXIPQUJACSFL-UHFFFAOYSA-N
XLogP1.77
TPSA128.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464342
N-[3-[4-(2-hydroxyethoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464360
N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464646
[3-[6-[3-[tert-butyl(dimethyl)silyl]oxyoxetan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
CID 150636162
[3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
CID 139501315
tert-butyl 5-acetamido-3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-1-carboxylate;N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139485183
tert-butyl 5-acetamido-3-[4-[(3S)-3-hydroxybutoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-1-carboxylate;N-[3-[4-[(3S)-3-hydroxybutoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139485182
N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464816
[1-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 166178025
[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

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
The IUPAC name of [3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea (CID 139464758) is [3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea.
What is the SMILES notation for [3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
The canonical SMILES for [3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea is COC1(c2cncc(-c3c[nH]c4cnc(NC(N)=O)cc34)n2)CCOC1.
What is the InChIKey of [3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
The InChIKey is XPEXIPQUJACSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-25-17(2-3-26-9-17)14-8-19-6-13(22-14)11-5-20-12-7-21-15(4-10(11)12)23-16(18)24/h4-8,20H,2-3,9H2,1H3,(H3,18,21,23,24).
What are the key properties of [3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
[3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea has a molecular weight of 354.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea is sourced from PubChem (CID 139464758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).