N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine

C18H22N6O — CID 58303407

IUPACN-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
SMILESCOC[C@@H]1C[C@@H](Nc2cncc(-c3cnc4cc(C)ccn34)n2)CN1
InChIInChI=1S/C18H22N6O/c1-12-3-4-24-16(9-21-18(24)5-12)15-8-19-10-17(23-15)22-13-6-14(11-25-2)20-7-13/h3-5,8-10,13-14,20H,6-7,11H2,1-2H3,(H,22,23)/t13-,14+/m1/s1
InChIKeyJFRUHUURRHUISC-KGLIPLIRSA-N
MW338.42 g/mol
LogP1.89
Rot. Bonds5

About N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine

N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine (PubChem CID 58303407) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
PubChem CID58303407
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
SMILESCOC[C@@H]1C[C@@H](Nc2cncc(-c3cnc4cc(C)ccn34)n2)CN1
InChIInChI=1S/C18H22N6O/c1-12-3-4-24-16(9-21-18(24)5-12)15-8-19-10-17(23-15)22-13-6-14(11-25-2)20-7-13/h3-5,8-10,13-14,20H,6-7,11H2,1-2H3,(H,22,23)/t13-,14+/m1/s1
InChIKeyJFRUHUURRHUISC-KGLIPLIRSA-N
XLogP1.89
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine?
The IUPAC name of N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine (CID 58303407) is N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine.
What is the SMILES notation for N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine?
The canonical SMILES for N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine is COC[C@@H]1C[C@@H](Nc2cncc(-c3cnc4cc(C)ccn34)n2)CN1.
What is the InChIKey of N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine?
The InChIKey is JFRUHUURRHUISC-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-3-4-24-16(9-21-18(24)5-12)15-8-19-10-17(23-15)22-13-6-14(11-25-2)20-7-13/h3-5,8-10,13-14,20H,6-7,11H2,1-2H3,(H,22,23)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine?
N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine has a molecular weight of 338.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine is sourced from PubChem (CID 58303407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).