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

C16H15N5O3 — CID 139501315

IUPAC[3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
SMILESNC(=O)Nc1cc2c(-c3cccc(C4(O)COC4)n3)c[nH]c2cn1
InChIInChI=1S/C16H15N5O3/c17-15(22)21-14-4-9-10(5-18-12(9)6-19-14)11-2-1-3-13(20-11)16(23)7-24-8-16/h1-6,18,23H,7-8H2,(H3,17,19,21,22)
InChIKeyWDTAYCGRGDHKGN-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.33
Rot. Bonds3

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

[3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea (PubChem CID 139501315) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is [3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name[3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
PubChem CID139501315
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name[3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
SMILESNC(=O)Nc1cc2c(-c3cccc(C4(O)COC4)n3)c[nH]c2cn1
InChIInChI=1S/C16H15N5O3/c17-15(22)21-14-4-9-10(5-18-12(9)6-19-14)11-2-1-3-13(20-11)16(23)7-24-8-16/h1-6,18,23H,7-8H2,(H3,17,19,21,22)
InChIKeyWDTAYCGRGDHKGN-UHFFFAOYSA-N
XLogP1.33
TPSA126.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[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-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
CID 139464758
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-[1-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577104
N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464646
N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876994
N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464906
N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464816
N-[3-[6-methylsulfanyl-4-(oxan-4-ylmethoxy)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694276
N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876970
6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
CID 82382362

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
The IUPAC name of [3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea (CID 139501315) is [3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea.
What is the SMILES notation for [3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
The canonical SMILES for [3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea is NC(=O)Nc1cc2c(-c3cccc(C4(O)COC4)n3)c[nH]c2cn1.
What is the InChIKey of [3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
The InChIKey is WDTAYCGRGDHKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c17-15(22)21-14-4-9-10(5-18-12(9)6-19-14)11-2-1-3-13(20-11)16(23)7-24-8-16/h1-6,18,23H,7-8H2,(H3,17,19,21,22).
What are the key properties of [3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea?
[3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea has a molecular weight of 325.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea is sourced from PubChem (CID 139501315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).