4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol

C18H22N4O2 — CID 90743712

IUPAC4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol
SMILESO=NCc1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C18H22N4O2/c23-18-5-10-3-11(6-18)15(12(4-10)7-18)22-16-13(9-21-24)8-20-17-14(16)1-2-19-17/h1-2,8,10-12,15,23H,3-7,9H2,(H2,19,20,22)
InChIKeySJRIQIRRGOXEPH-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.18
Rot. Bonds4

About 4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol

4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol (PubChem CID 90743712) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol
PubChem CID90743712
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol
SMILESO=NCc1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C18H22N4O2/c23-18-5-10-3-11(6-18)15(12(4-10)7-18)22-16-13(9-21-24)8-20-17-14(16)1-2-19-17/h1-2,8,10-12,15,23H,3-7,9H2,(H2,19,20,22)
InChIKeySJRIQIRRGOXEPH-UHFFFAOYSA-N
XLogP3.18
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 67998252
4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70792279
[(Z)-1-aminoethylideneamino] 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 87206460
N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70792178
methyl 4-[(5-methyl-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 157468591
4-(3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)adamantan-1-ol
CID 66727116
(3R,5S)-4-(3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)adamantan-1-ol
CID 66726973
4-[[5-(2-cyanoethoxy)-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 66924315
N'-hydroxy-4-[[(2R,7S)-1-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboximidamide
CID 173032256
(1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol
CID 70792134
4-(10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)adamantan-1-ol
CID 155724228
4-(11-ethyl-10-hydroxy-5,7,11,12-tetraza-10-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)adamantan-1-ol
CID 159005534

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol?
The IUPAC name of 4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol (CID 90743712) is 4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol.
What is the SMILES notation for 4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol?
The canonical SMILES for 4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol is O=NCc1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol?
The InChIKey is SJRIQIRRGOXEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18-5-10-3-11(6-18)15(12(4-10)7-18)22-16-13(9-21-24)8-20-17-14(16)1-2-19-17/h1-2,8,10-12,15,23H,3-7,9H2,(H2,19,20,22).
What are the key properties of 4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol?
4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol has a molecular weight of 326.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol is sourced from PubChem (CID 90743712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).