3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine

C17H25N5O — CID 128989759

IUPAC3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(Cc2cnc3cnccn23)C1
InChIInChI=1S/C17H25N5O/c1-23-16-8-14(11-20-5-2-3-6-20)21(13-16)12-15-9-19-17-10-18-4-7-22(15)17/h4,7,9-10,14,16H,2-3,5-6,8,11-13H2,1H3/t14-,16-/m0/s1
InChIKeyKHHAXNMFBGNPJB-HOCLYGCPSA-N
MW315.42 g/mol
LogP1.41
Rot. Bonds5

About 3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine

3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine (PubChem CID 128989759) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine
PubChem CID128989759
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(Cc2cnc3cnccn23)C1
InChIInChI=1S/C17H25N5O/c1-23-16-8-14(11-20-5-2-3-6-20)21(13-16)12-15-9-19-17-10-18-4-7-22(15)17/h4,7,9-10,14,16H,2-3,5-6,8,11-13H2,1H3/t14-,16-/m0/s1
InChIKeyKHHAXNMFBGNPJB-HOCLYGCPSA-N
XLogP1.41
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine (CID 128989759) is 3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine is CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2cnc3cnccn23)C1.
What is the InChIKey of 3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine?
The InChIKey is KHHAXNMFBGNPJB-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H25N5O/c1-23-16-8-14(11-20-5-2-3-6-20)21(13-16)12-15-9-19-17-10-18-4-7-22(15)17/h4,7,9-10,14,16H,2-3,5-6,8,11-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of 3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine?
3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine has a molecular weight of 315.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 128989759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).