[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone

C14H16N4O — CID 167987190

IUPAC[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
SMILESN[C@]12CC[C@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2
InChIInChI=1S/C14H16N4O/c15-14-3-1-10(14)7-18(8-14)13(19)12-5-9-6-16-4-2-11(9)17-12/h2,4-6,10,17H,1,3,7-8,15H2/t10-,14-/m0/s1
InChIKeyBKFRLTGYSRIDEG-HZMBPMFUSA-N
MW256.31 g/mol
LogP1.13
Rot. Bonds1

About [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone

[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone (PubChem CID 167987190) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
PubChem CID167987190
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
SMILESN[C@]12CC[C@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2
InChIInChI=1S/C14H16N4O/c15-14-3-1-10(14)7-18(8-14)13(19)12-5-9-6-16-4-2-11(9)17-12/h2,4-6,10,17H,1,3,7-8,15H2/t10-,14-/m0/s1
InChIKeyBKFRLTGYSRIDEG-HZMBPMFUSA-N
XLogP1.13
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
CID 154785347
(5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 166385879
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
CID 138011938
(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016546
(3aS,7aS)-2-(5-fluoro-1H-indole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628557
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone
CID 138011959
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 138049806
(3aS,7aS)-2-(6-chloro-1H-indole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626641
(4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
CID 153303868
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 155027416
1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 154868871

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
The IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone (CID 167987190) is [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone.
What is the SMILES notation for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
The canonical SMILES for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone is N[C@]12CC[C@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2.
What is the InChIKey of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
The InChIKey is BKFRLTGYSRIDEG-HZMBPMFUSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14-3-1-10(14)7-18(8-14)13(19)12-5-9-6-16-4-2-11(9)17-12/h2,4-6,10,17H,1,3,7-8,15H2/t10-,14-/m0/s1.
What are the key properties of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone is sourced from PubChem (CID 167987190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).