N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide

C15H18N4O — CID 59985812

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cn2cccc2cn1
InChIInChI=1S/C15H18N4O/c20-15(14-10-19-4-1-2-13(19)7-16-14)17-12-6-11-3-5-18(8-11)9-12/h1-2,4,7,10-12H,3,5-6,8-9H2,(H,17,20)/t11-,12-/m1/s1
InChIKeyVNRQRZFFORYITO-VXGBXAGGSA-N
MW270.34 g/mol
LogP1.16
Rot. Bonds2

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 59985812) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID59985812
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cn2cccc2cn1
InChIInChI=1S/C15H18N4O/c20-15(14-10-19-4-1-2-13(19)7-16-14)17-12-6-11-3-5-18(8-11)9-12/h1-2,4,7,10-12H,3,5-6,8-9H2,(H,17,20)/t11-,12-/m1/s1
InChIKeyVNRQRZFFORYITO-VXGBXAGGSA-N
XLogP1.16
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
N-(1-azabicyclo[3.2.1]octan-3-yl)-[1,3]thiazolo[5,4-c]pyridine-6-carboxamide
CID 22591307
N-(1-azabicyclo[3.2.1]octan-3-yl)thieno[2,3-b]pyridine-6-carboxamide
CID 22389175
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-6-ethynylpyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 87988346
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide
CID 87940296
2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 66814808
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66815107
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 66814884
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
CID 66814653
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66814602

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 59985812) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cn2cccc2cn1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is VNRQRZFFORYITO-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(14-10-19-4-1-2-13(19)7-16-14)17-12-6-11-3-5-18(8-11)9-12/h1-2,4,7,10-12H,3,5-6,8-9H2,(H,17,20)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 59985812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).