(1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane

C14H17N5 — CID 158843118

IUPAC(1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCN1C[C@H]2CN(c3cncc(-c4cnc[nH]4)c3)C[C@H]21
InChIInChI=1S/C14H17N5/c1-18-6-11-7-19(8-14(11)18)12-2-10(3-15-4-12)13-5-16-9-17-13/h2-5,9,11,14H,6-8H2,1H3,(H,16,17)/t11-,14+/m0/s1
InChIKeyIYMORSWQFZUWDQ-SMDDNHRTSA-N
MW255.32 g/mol
LogP1.22
Rot. Bonds2

About (1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane

(1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 158843118) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is (1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane
PubChem CID158843118
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name(1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCN1C[C@H]2CN(c3cncc(-c4cnc[nH]4)c3)C[C@H]21
InChIInChI=1S/C14H17N5/c1-18-6-11-7-19(8-14(11)18)12-2-10(3-15-4-12)13-5-16-9-17-13/h2-5,9,11,14H,6-8H2,1H3,(H,16,17)/t11-,14+/m0/s1
InChIKeyIYMORSWQFZUWDQ-SMDDNHRTSA-N
XLogP1.22
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 68917956
4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 42610313
[5-[(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]boronic acid
CID 68917929
(1R,5R)-3-[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane
CID 25157633
2,7-bis[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
CID 67164232
6-[5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 68915414
3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 143976869
(1S,5R)-3-(5-fluoro-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 142422963
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride
CID 56663664
[5-[5-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-pyridinyl]-1H-indol-3-yl] 4-methylbenzenesulfonate
CID 87292649
2-(5-bromo-3-pyridinyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322900
5-(1H-imidazol-5-yl)-2-methylpyrimidine
CID 89187650

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of (1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane (CID 158843118) is (1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for (1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for (1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane is CN1C[C@H]2CN(c3cncc(-c4cnc[nH]4)c3)C[C@H]21.
What is the InChIKey of (1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is IYMORSWQFZUWDQ-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H17N5/c1-18-6-11-7-19(8-14(11)18)12-2-10(3-15-4-12)13-5-16-9-17-13/h2-5,9,11,14H,6-8H2,1H3,(H,16,17)/t11-,14+/m0/s1.
What are the key properties of (1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane?
(1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 255.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-[5-(1H-imidazol-5-yl)-3-pyridinyl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 158843118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).