1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea

C16H20N4O — CID 146642120

IUPAC1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea
SMILESO=C(Nc1c[nH]c2ccncc12)NC1CC2CCC(C2)C1
InChIInChI=1S/C16H20N4O/c21-16(19-12-6-10-1-2-11(5-10)7-12)20-15-9-18-14-3-4-17-8-13(14)15/h3-4,8-12,18H,1-2,5-7H2,(H2,19,20,21)
InChIKeyDTBFWEUZGNFUQI-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.26
Rot. Bonds2

About 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea

1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea (PubChem CID 146642120) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea
PubChem CID146642120
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea
SMILESO=C(Nc1c[nH]c2ccncc12)NC1CC2CCC(C2)C1
InChIInChI=1S/C16H20N4O/c21-16(19-12-6-10-1-2-11(5-10)7-12)20-15-9-18-14-3-4-17-8-13(14)15/h3-4,8-12,18H,1-2,5-7H2,(H2,19,20,21)
InChIKeyDTBFWEUZGNFUQI-UHFFFAOYSA-N
XLogP3.26
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea with MolForge

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Related Compounds

1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
CID 115759515
2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 102626478
cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626384
1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea
CID 146642168
oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626691
1-[6-(3-bicyclo[3.2.1]octanyl)-5-methyl-3-pyridinyl]-3-(5,6-difluoro-1H-indol-3-yl)urea
CID 156574528
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
N-[2-(cyclopropylamino)-6-fluorophenyl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide
CID 166400062
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid
CID 82385079
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-cyclohexyl-3-(1H-indol-4-yl)urea
CID 110748828
1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea
CID 146642263

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea?
The IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea (CID 146642120) is 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea.
What is the SMILES notation for 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea?
The canonical SMILES for 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea is O=C(Nc1c[nH]c2ccncc12)NC1CC2CCC(C2)C1.
What is the InChIKey of 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea?
The InChIKey is DTBFWEUZGNFUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(19-12-6-10-1-2-11(5-10)7-12)20-15-9-18-14-3-4-17-8-13(14)15/h3-4,8-12,18H,1-2,5-7H2,(H2,19,20,21).
What are the key properties of 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea?
1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea is sourced from PubChem (CID 146642120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).