N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine

C19H19ClN4S — CID 130226779

IUPACN-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESClc1cccc(C2(Nc3nccn4c([C@@H]5CCCS5)cnc34)CC2)c1
InChIInChI=1S/C19H19ClN4S/c20-14-4-1-3-13(11-14)19(6-7-19)23-17-18-22-12-15(16-5-2-10-25-16)24(18)9-8-21-17/h1,3-4,8-9,11-12,16H,2,5-7,10H2,(H,21,23)/t16-/m0/s1
InChIKeyNGPHNJGMJZRNBO-INIZCTEOSA-N
MW370.91 g/mol
LogP5.05
Rot. Bonds4

About N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine

N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 130226779) has the molecular formula C19H19ClN4S and a molecular weight of 370.91 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID130226779
Molecular FormulaC19H19ClN4S
Molecular Weight370.91 g/mol
Exact Mass370.10
IUPAC NameN-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESClc1cccc(C2(Nc3nccn4c([C@@H]5CCCS5)cnc34)CC2)c1
InChIInChI=1S/C19H19ClN4S/c20-14-4-1-3-13(11-14)19(6-7-19)23-17-18-22-12-15(16-5-2-10-25-16)24(18)9-8-21-17/h1,3-4,8-9,11-12,16H,2,5-7,10H2,(H,21,23)/t16-/m0/s1
InChIKeyNGPHNJGMJZRNBO-INIZCTEOSA-N
XLogP5.05
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine (CID 130226779) is N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine is Clc1cccc(C2(Nc3nccn4c([C@@H]5CCCS5)cnc34)CC2)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is NGPHNJGMJZRNBO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19ClN4S/c20-14-4-1-3-13(11-14)19(6-7-19)23-17-18-22-12-15(16-5-2-10-25-16)24(18)9-8-21-17/h1,3-4,8-9,11-12,16H,2,5-7,10H2,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine?
N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 370.91 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclopropyl]-3-[(2S)-thiolan-2-yl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 130226779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).