N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C19H29N5 — CID 56913217

IUPACN-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC[C@@H]2CCCN3CCCC[C@H]23)n2nc(C)cc2n1
InChIInChI=1S/C19H29N5/c1-14-12-18(24-19(21-14)13-15(2)22-24)20-9-8-16-6-5-11-23-10-4-3-7-17(16)23/h12-13,16-17,20H,3-11H2,1-2H3/t16-,17+/m0/s1
InChIKeyVXYXKLLBUDBPGC-DLBZAZTESA-N
MW327.48 g/mol
LogP3.41
Rot. Bonds4

About N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56913217) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56913217
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC[C@@H]2CCCN3CCCC[C@H]23)n2nc(C)cc2n1
InChIInChI=1S/C19H29N5/c1-14-12-18(24-19(21-14)13-15(2)22-24)20-9-8-16-6-5-11-23-10-4-3-7-17(16)23/h12-13,16-17,20H,3-11H2,1-2H3/t16-,17+/m0/s1
InChIKeyVXYXKLLBUDBPGC-DLBZAZTESA-N
XLogP3.41
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56913217) is N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC[C@@H]2CCCN3CCCC[C@H]23)n2nc(C)cc2n1.
What is the InChIKey of N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VXYXKLLBUDBPGC-DLBZAZTESA-N. The full InChI is InChI=1S/C19H29N5/c1-14-12-18(24-19(21-14)13-15(2)22-24)20-9-8-16-6-5-11-23-10-4-3-7-17(16)23/h12-13,16-17,20H,3-11H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 327.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56913217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).