(3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine

C21H23N5O — CID 118165881

IUPAC(3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine
SMILESCc1cn2cc(C3=Cc4ccc(N[C@H]5CCNC5)cc4OC3)nc2c(C)n1
InChIInChI=1S/C21H23N5O/c1-13-10-26-11-19(25-21(26)14(2)23-13)16-7-15-3-4-17(8-20(15)27-12-16)24-18-5-6-22-9-18/h3-4,7-8,10-11,18,22,24H,5-6,9,12H2,1-2H3/t18-/m0/s1
InChIKeyCAPPBIJGSTZSMF-SFHVURJKSA-N
MW361.45 g/mol
LogP3.05
Rot. Bonds3

About (3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine

(3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine (PubChem CID 118165881) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine
PubChem CID118165881
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine
SMILESCc1cn2cc(C3=Cc4ccc(N[C@H]5CCNC5)cc4OC3)nc2c(C)n1
InChIInChI=1S/C21H23N5O/c1-13-10-26-11-19(25-21(26)14(2)23-13)16-7-15-3-4-17(8-20(15)27-12-16)24-18-5-6-22-9-18/h3-4,7-8,10-11,18,22,24H,5-6,9,12H2,1-2H3/t18-/m0/s1
InChIKeyCAPPBIJGSTZSMF-SFHVURJKSA-N
XLogP3.05
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine (CID 118165881) is (3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine is Cc1cn2cc(C3=Cc4ccc(N[C@H]5CCNC5)cc4OC3)nc2c(C)n1.
What is the InChIKey of (3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine?
The InChIKey is CAPPBIJGSTZSMF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-10-26-11-19(25-21(26)14(2)23-13)16-7-15-3-4-17(8-20(15)27-12-16)24-18-5-6-22-9-18/h3-4,7-8,10-11,18,22,24H,5-6,9,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine?
(3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine has a molecular weight of 361.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2H-chromen-7-yl]pyrrolidin-3-amine is sourced from PubChem (CID 118165881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).